Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2cc(c(OCC(=O)Nc1ccccc1)cc2)C(=O)c3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc(OCC(=O)Nc2ccccc2)c(c1)C(=O)c3ccccc3 |
SMILES | CACTVS | 3.341 | Clc1ccc(OCC(=O)Nc2ccccc2)c(c1)C(=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3ccccc3)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3ccccc3)Cl |
InChI | InChI | 1.03 | InChI=1S/C21H16ClNO3/c22-16-11-12-19(18(13-16)21(25)15-7-3-1-4-8-15)26-14-20(24)23-17-9-5-2-6-10-17/h1-13H,14H2,(H,23,24) |
InChIKey | InChI | 1.03 | DTGVSZSMDOMAEB-UHFFFAOYSA-N |