4058 -OEChem-10051719153D 39 40 0 0 0 0 0 0 0999 V2000 -1.9234 -1.2579 0.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0897 -2.0615 -1.6257 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1581 -0.9256 0.2214 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2344 -0.5659 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2868 -0.7726 -1.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -1.2027 1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 -0.2512 -0.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -0.7106 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2153 0.8976 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9863 -1.3896 -0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5081 -0.4735 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7881 1.5378 -1.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 1.5775 1.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 2.8672 -1.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4561 2.9068 1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0303 3.5517 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1368 -1.9883 0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0667 -1.7393 1.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9787 -0.2955 -2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3868 -1.8430 -1.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8764 -2.2948 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1809 -1.0538 1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -0.4538 -1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6435 0.8375 -0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2622 0.3407 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6055 -1.2841 2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 -0.6859 -0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8884 -1.0114 1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5448 0.6012 0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9344 1.0223 -2.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3466 1.1220 1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6455 3.3687 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3372 3.4375 2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3509 4.5858 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -1.6527 -0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 -3.0579 0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0068 -2.2837 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5983 -2.0530 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2864 -0.6708 1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 M END > DB00454 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XADCESSVHJOZHK-UHFFFAOYSA-N/SDF?record_type=3d > CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1 > InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3 > XADCESSVHJOZHK-UHFFFAOYSA-N > C15H21NO2 > 247.3327 > 247.157228921 > 2 > 39 > 0.9352409690928136 > 28.09229668811986 > 1 > 0 > 0 > 1 > ethyl 1-methyl-4-phenylpiperidine-4-carboxylate > 2.90 > 2.455800395999999 > -2.35 > 0 > 1 > 2 > 1 > 8.159623182152663 > 29.54 > 72.4837 > 4 > 1 > 1.11e+00 g/l > biotin > 1 $$$$