Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1 |
InChIKey | InChI | 1.03 | HTIQEAQVCYTUBX-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C1=C(COCCN)NC(=C([C@@H]1c2ccccc2Cl)C(=O)OC)C |
SMILES | CACTVS | 3.385 | CCOC(=O)C1=C(COCCN)NC(=C([CH]1c2ccccc2Cl)C(=O)OC)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCOC(=O)C1=C(NC(=C([C@@H]1c2ccccc2Cl)C(=O)OC)C)COCCN |
SMILES | OpenEye OEToolkits | 2.0.5 | CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN |