種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Fc1ccccc1c4ccc(c2nc3ccc(F)cc3c(c2C)C(=O)O)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4F |
SMILES | CACTVS | 3.341 | Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) |
InChIKey | InChI | 1.03 | PHEZJEYUWHETKO-UHFFFAOYSA-N |