| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C23H18F3N3O4/c1-13-20(14(2)30)21(16-8-6-15(11-27)7-9-16)28(12-19(31)32)22(33)29(13)18-5-3-4-17(10-18)23(24,25)26/h3-10,21H,12H2,1-2H3,(H,31,32)/t21-/m1/s1 |
| InChIKey | InChI | 1.03 | RRKQYMJDNSVFCG-OAQYLSRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C1=C(C)N(C(=O)N(CC(O)=O)[C@@H]1c2ccc(cc2)C#N)c3cccc(c3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CC(=O)C1=C(C)N(C(=O)N(CC(O)=O)[CH]1c2ccc(cc2)C#N)c3cccc(c3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)O)c3ccc(cc3)C#N)C(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=C(C(N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)O)c3ccc(cc3)C#N)C(=O)C |
