Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H19ClN2O2/c21-14-7-5-13(6-8-14)20-19-16(9-11-23(20)12-10-18(24)25)15-3-1-2-4-17(15)22-19/h1-8,20,22H,9-12H2,(H,24,25)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | LVUWGHOKMIGPFO-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCN1CCc2c([nH]c3ccccc23)[C@H]1c4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | OC(=O)CCN1CCc2c([nH]c3ccccc23)[CH]1c4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)CCC(=O)O)c4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c3c([nH]2)C(N(CC3)CCC(=O)O)c4ccc(cc4)Cl |