| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H18F3NO3/c1-26-19-5-10-3-4-18-12(11(10)8-20(19)27-2)7-17(25)21(28-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/m0/s1 |
| InChIKey | InChI | 1.03 | NXPAPTOHRVIGJL-LAUBAEHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ccc3O[C@@H]([C@@H](N)Cc3c2cc1OC)c4cc(F)c(F)cc4F |
| SMILES | CACTVS | 3.385 | COc1cc2ccc3O[CH]([CH](N)Cc3c2cc1OC)c4cc(F)c(F)cc4F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1cc2ccc3c(c2cc1OC)C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | COc1cc2ccc3c(c2cc1OC)CC(C(O3)c4cc(c(cc4F)F)F)N |
