Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H17Cl2NO4/c1-10(2)24-17(22)11(3)20(16(21)14-8-5-9-23-14)15-12(18)6-4-7-13(15)19/h4-11H,1-3H3/t11-/m0/s1 |
InChIKey | InChI | 1.03 | QVXCXYZAVANRBK-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)OC(=O)[C@H](C)N(C(=O)c1occc1)c2c(Cl)cccc2Cl |
SMILES | CACTVS | 3.385 | CC(C)OC(=O)[CH](C)N(C(=O)c1occc1)c2c(Cl)cccc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](C(=O)OC(C)C)N(c1c(cccc1Cl)Cl)C(=O)c2ccco2 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)OC(=O)C(C)N(c1c(cccc1Cl)Cl)C(=O)c2ccco2 |