Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCc1c(c(nc1C)/C=C3/c2ccccc2NC3=O)C |
InChI | InChI | 1.03 | InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9- |
InChIKey | InChI | 1.03 | NHFDRBXTEDBWCZ-ZROIWOOFSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O |
SMILES | CACTVS | 3.370 | Cc1[nH]c(C=C2C(=O)Nc3ccccc23)c(C)c1CCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c([nH]c1C=C2c3ccccc3NC2=O)C)CCC(=O)O |