Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N2CC(c1ccc(Cl)cc1)C(CO)C2)CC(O)Cc3ccc(Cl)cc3 |
InChI | InChI | 1.03 | InChI=1S/C21H23Cl2NO3/c22-17-5-1-14(2-6-17)9-19(26)10-21(27)24-11-16(13-25)20(12-24)15-3-7-18(23)8-4-15/h1-8,16,19-20,25-26H,9-13H2/t16-,19-,20-/m1/s1 |
InChIKey | InChI | 1.03 | PKCGAGXONWDTRK-NSISKUIASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1CN(C[C@@H]1c2ccc(Cl)cc2)C(=O)C[C@H](O)Cc3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | OC[CH]1CN(C[CH]1c2ccc(Cl)cc2)C(=O)C[CH](O)Cc3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)O)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CC(CC(=O)N2CC(C(C2)c3ccc(cc3)Cl)CO)O)Cl |