Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc4ccccc4c2c1cc(Cl)ccc1n(c2C(=O)O)Cc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C22H15ClFNO2/c23-15-10-11-19-17(12-15)20(16-8-4-5-9-18(16)24)21(22(26)27)25(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,26,27) |
InChIKey | InChI | 1.03 | IOOYKINARCKSEF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1n(Cc2ccccc2)c3ccc(Cl)cc3c1c4ccccc4F |
SMILES | CACTVS | 3.370 | OC(=O)c1n(Cc2ccccc2)c3ccc(Cl)cc3c1c4ccccc4F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl |