Type | Program | Version | Descriptor |
SMILES | ACDLabs | 14.52 | Clc1cc(cc(NC(=O)OCc2ccccc2)c1)C(=O)Nc1ccc(cc1)C(C)N |
InChI | InChI | 1.06 | InChI=1S/C23H22ClN3O3/c1-15(25)17-7-9-20(10-8-17)26-22(28)18-11-19(24)13-21(12-18)27-23(29)30-14-16-5-3-2-4-6-16/h2-13,15H,14,25H2,1H3,(H,26,28)(H,27,29)/t15-/m1/s1 |
InChIKey | InChI | 1.06 | APASUVIWXFRLJS-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N)c1ccc(NC(=O)c2cc(Cl)cc(NC(=O)OCc3ccccc3)c2)cc1 |
SMILES | CACTVS | 3.385 | C[CH](N)c1ccc(NC(=O)c2cc(Cl)cc(NC(=O)OCc3ccccc3)c2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H](c1ccc(cc1)NC(=O)c2cc(cc(c2)Cl)NC(=O)OCc3ccccc3)N |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(c1ccc(cc1)NC(=O)c2cc(cc(c2)Cl)NC(=O)OCc3ccccc3)N |