2482 -OEChem-04231811593D 29 29 0 0 0 0 0 0 0999 V2000 1.2295 0.1188 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 2.2571 -0.3561 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8841 -1.2569 0.1679 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5101 -0.6006 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9736 -0.1710 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5711 0.5824 -0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9072 -1.3483 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0896 0.4545 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 1.0644 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1329 1.2136 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 -0.8522 -0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6004 -0.6781 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4021 0.6410 0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5296 -1.4247 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3106 -1.3517 -0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2866 -1.0902 1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1618 0.5908 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1994 0.2831 -0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7391 1.3246 0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7486 1.0501 -1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7295 -1.8030 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7666 -2.1171 -0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -1.0181 0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9902 2.2404 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4463 -1.4501 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2285 1.2330 0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6723 -2.4526 -0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0276 -2.2141 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6604 -0.7169 0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 13 1 0 0 0 0 10 24 1 0 0 0 0 11 14 2 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 M END > DB11148 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IUWVALYLNVXWKX-UHFFFAOYSA-N/SDF?record_type=3d > CCCCOC(=O)C1=CC=C(N)C=C1 > InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3 > IUWVALYLNVXWKX-UHFFFAOYSA-N > C11H15NO2 > 193.246 > 193.110278727 > 2 > 29 > 21.963313915935288 > 1 > 1 > 0 > 1 > butyl 4-aminobenzoate > 2.88 > 2.471695840666667 > -2.76 > 0 > 1 > 0 > 2.7610947055773134 > 52.32 > 56.657300000000006 > 5 > 1 > 3.36e-01 g/l > butamben > 0 $$$$