15004 -OEChem-09221814393D 51 51 0 0 0 0 0 0 0999 V2000 2.1320 1.0317 0.8853 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4565 -0.1653 0.1288 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6601 2.5398 -0.9275 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 1.2600 -0.2302 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 -1.0303 -0.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9837 -1.0027 -0.2313 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6621 -2.3960 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2946 -0.7850 -0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1559 0.0910 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0175 0.9009 0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -0.1858 0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7576 0.9941 0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5077 0.8510 0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0317 1.7512 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3623 1.7043 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1182 -2.7846 1.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 -0.8317 -2.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 0.1441 1.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1151 0.1908 1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0921 -0.2298 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1468 -1.1340 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6448 -0.9267 -0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4453 -1.9327 -1.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9777 1.9460 -2.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5824 -2.5495 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1273 -3.0440 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0009 -1.5315 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6705 0.1973 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2331 -0.8195 -0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.6987 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8566 0.6768 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9148 1.8176 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 2.2952 -0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 -3.8246 1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6601 -2.1537 2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2041 -2.6892 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2177 -0.6532 -2.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5442 -0.0698 -2.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8739 -1.8060 -2.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7773 -0.4861 2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6784 -0.3971 2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8669 -2.1402 -0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8609 -1.0087 -1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9103 0.0925 -0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9133 -1.0028 0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2233 -2.9565 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5177 -1.7604 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2196 -1.8471 -2.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0653 1.6299 -2.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 1.0917 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 2.6951 -2.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 14 1 0 0 0 0 3 24 1 0 0 0 0 4 9 2 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 16 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 17 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 15 2 0 0 0 0 10 18 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 M END > DB13234 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KEJXLQUPYHWCNM-UHFFFAOYSA-N/SDF?record_type=3d > CCCOC(=O)CC1=CC(OC)=C(OCC(=O)N(CC)CC)C=C1 > InChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3 > KEJXLQUPYHWCNM-UHFFFAOYSA-N > C18H27NO5 > 337.416 > 337.188922973 > 4 > 51 > 37.5182340453314 > 1 > 0 > 0 > 1 > propyl 2-{4-[(diethylcarbamoyl)methoxy]-3-methoxyphenyl}acetate > 2.80 > 2.1528847150000003 > -3.17 > 0 > 1 > 0 > 16.58735004908216 > -4.612519060123342 > 65.07 > 91.5311 > 11 > 1 > 2.29e-01 g/l > propanidid > 0 $$$$