WF0
概要
| 表記: | 2-[[5-bromanyl-2-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol |
| 組成式: | C17 H16 Br F4 N O2 |
| 電荷: | 0 |
| 化学式量: | 422.212 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 2-[[5-bromanyl-2-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C17H16BrF4NO2/c18-13-2-4-16(12(8-13)9-23-5-6-24)25-10-11-1-3-15(19)14(7-11)17(20,21)22/h1-4,7-8,23-24H,5-6,9-10H2 |
| InChIKey | InChI | 1.06 | ITHSFXDGKQYOED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCNCc1cc(Br)ccc1OCc2ccc(F)c(c2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OCCNCc1cc(Br)ccc1OCc2ccc(F)c(c2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1COc2ccc(cc2CNCCO)Br)C(F)(F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1COc2ccc(cc2CNCCO)Br)C(F)(F)F)F |
