Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)c1ccc(cc1)C1c2[NH]c3ccccc3c2CC(C(=O)OC)N1C(=O)CCl |
InChI | InChI | 1.03 | InChI=1S/C23H21ClN2O5/c1-30-22(28)14-9-7-13(8-10-14)21-20-16(15-5-3-4-6-17(15)25-20)11-18(23(29)31-2)26(21)19(27)12-24/h3-10,18,21,25H,11-12H2,1-2H3/t18-,21+/m1/s1 |
InChIKey | InChI | 1.03 | TXJZRSRTYPUYRW-NQIIRXRSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](N1C(=O)CCl)c4ccc(cc4)C(=O)OC |
SMILES | CACTVS | 3.385 | COC(=O)[CH]1Cc2c([nH]c3ccccc23)[CH](N1C(=O)CCl)c4ccc(cc4)C(=O)OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(cc1)[C@H]2c3c(c4ccccc4[nH]3)C[C@@H](N2C(=O)CCl)C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC(N2C(=O)CCl)C(=O)OC |