Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)C(Cc1ccc(O)cc1)NC(=O)c1cc(c2cc(ccc2n1)/C=C/c1ccc(Cl)cc1)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C29H23ClN2O6/c1-38-29(37)26(15-19-6-11-21(33)12-7-19)32-27(34)25-16-23(28(35)36)22-14-18(8-13-24(22)31-25)3-2-17-4-9-20(30)10-5-17/h2-14,16,26,33H,15H2,1H3,(H,32,34)(H,35,36)/b3-2+/t26-/m1/s1 |
InChIKey | InChI | 1.03 | CRHBWGFUPXDNDU-DXPVHIICSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c2cc(C(O)=O)c3cc(\C=C\c4ccc(Cl)cc4)ccc3n2 |
SMILES | CACTVS | 3.385 | COC(=O)[CH](Cc1ccc(O)cc1)NC(=O)c2cc(C(O)=O)c3cc(C=Cc4ccc(Cl)cc4)ccc3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)/C=C/c4ccc(cc4)Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C(Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)C=Cc4ccc(cc4)Cl)C(=O)O |