Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H16ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-9,12,23H,10-11H2,(H,24,25) |
InChIKey | InChI | 1.03 | LOEBSRSQBHSNFT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccc4OCCc4c3 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccc4OCCc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)CCO4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)CCO4)Cl |