Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccc2nc(c(c(c2c1)C(=O)O)C)c4ccc(c3ccccc3)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4 |
SMILES | CACTVS | 3.341 | Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27) |
InChIKey | InChI | 1.03 | WYKKHJQZENLZID-UHFFFAOYSA-N |