Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H18ClFN2O3/c1-15-13-27-28(23(15)17-7-9-20(25)21(26)11-17)18-8-10-22(19(12-18)24(29)30)31-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,29,30) |
InChIKey | InChI | 1.03 | NWWKXTLGLBRUHA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnn(c2ccc(OCc3ccccc3)c(c2)C(O)=O)c1c4ccc(Cl)c(F)c4 |
SMILES | CACTVS | 3.385 | Cc1cnn(c2ccc(OCc3ccccc3)c(c2)C(O)=O)c1c4ccc(Cl)c(F)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnn(c1c2ccc(c(c2)F)Cl)c3ccc(c(c3)C(=O)O)OCc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnn(c1c2ccc(c(c2)F)Cl)c3ccc(c(c3)C(=O)O)OCc4ccccc4 |