| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | MBKYLPOPYYLTNW-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c3ccc4OCC(=O)Nc4c3 |
| SMILES | CACTVS | 3.385 | CNC(=O)C[CH]1COc2cc(F)ccc2N1C(=O)c3ccc4OCC(=O)Nc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNC(=O)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNC(=O)CC1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F |
