Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H23Cl2NO3/c1-14(2)20(15-7-8-16(23)17(24)13-15)21(26)25-11-9-22(10-12-25)27-18-5-3-4-6-19(18)28-22/h3-8,13-14,20H,9-12H2,1-2H3/t20-/m0/s1 |
InChIKey | InChI | 1.03 | QFUKMLGGPINITQ-FQEVSTJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccc(Cl)c(Cl)c4 |
SMILES | CACTVS | 3.385 | CC(C)[CH](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccc(Cl)c(Cl)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C(c1ccc(c(c1)Cl)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3 |