| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)COc2ccc(cc2)CN(C=O)C(c4c3ccc(Cl)cc3nc4C(=O)O)C(=O)NC(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C30H29Cl2N3O5/c1-30(2,3)34-28(37)27(25-23-13-10-21(32)14-24(23)33-26(25)29(38)39)35(17-36)15-18-6-11-22(12-7-18)40-16-19-4-8-20(31)9-5-19/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39)/t27-/m0/s1 |
| InChIKey | InChI | 1.03 | PESUUIPTWNTJKA-MHZLTWQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)NC(=O)[C@@H](N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C=O)c3c([nH]c4cc(Cl)ccc34)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)NC(=O)[CH](N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C=O)c3c([nH]c4cc(Cl)ccc34)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)OCc4ccc(cc4)Cl)C=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)NC(=O)C(c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)OCc4ccc(cc4)Cl)C=O |
