Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(c1ccc(cc1Cl)Cl)(N3CC(c2ccccc2)OCC3)=O |
InChI | InChI | 1.03 | InChI=1S/C17H15Cl2NO2/c18-13-6-7-14(15(19)10-13)17(21)20-8-9-22-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2/t16-/m1/s1 |
InChIKey | InChI | 1.03 | GMCUGOLAHOHCSS-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(c(Cl)c1)C(=O)N2CCO[C@H](C2)c3ccccc3 |
SMILES | CACTVS | 3.385 | Clc1ccc(c(Cl)c1)C(=O)N2CCO[CH](C2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CN(CCO2)C(=O)c3ccc(cc3Cl)Cl |