| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C22H24F3NO4/c1-14(27)26(5)17-8-10-18(11-9-17)29-13-15-6-7-16(22(23,24)25)12-19(15)20(28)30-21(2,3)4/h6-12H,13H2,1-5H3 |
| InChIKey | InChI | 1.03 | YZWZMPWHXSZLBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C(C)=O)c1ccc(OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F)cc1 |
| SMILES | CACTVS | 3.385 | CN(C(C)=O)c1ccc(OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)N(C)c1ccc(cc1)OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)N(C)c1ccc(cc1)OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F |
