Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccccc1CC(C(O)=O)NC(=O)c3cc(Cl)c2CC(C)OC(c2c3O)=O |
InChI | InChI | 1.03 | InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15-/m1/s1 |
InChIKey | InChI | 1.03 | RWQKHEORZBHNRI-MEBBXXQBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1Cc2c(Cl)cc(c(O)c2C(=O)O1)C(=O)N[C@H](Cc3ccccc3)C(O)=O |
SMILES | CACTVS | 3.385 | C[CH]1Cc2c(Cl)cc(c(O)c2C(=O)O1)C(=O)N[CH](Cc3ccccc3)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@H](Cc3ccccc3)C(=O)O)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1Cc2c(cc(c(c2C(=O)O1)O)C(=O)NC(Cc3ccccc3)C(=O)O)Cl |