Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1ccccc1c1ccccc1)C1C(C(O)=O)C1(C)C |
InChI | InChI | 1.06 | InChI=1S/C19H19NO3/c1-19(2)15(16(19)18(22)23)17(21)20-14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11,15-16H,1-2H3,(H,20,21)(H,22,23)/t15-,16+/m0/s1 |
InChIKey | InChI | 1.06 | WZVGLQFDUFVSTL-JKSUJKDBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)[C@H]([C@H]1C(=O)Nc2ccccc2c3ccccc3)C(O)=O |
SMILES | CACTVS | 3.385 | CC1(C)[CH]([CH]1C(=O)Nc2ccccc2c3ccccc3)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1([C@@H]([C@@H]1C(=O)O)C(=O)Nc2ccccc2c3ccccc3)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(C1C(=O)O)C(=O)Nc2ccccc2c3ccccc3)C |