40D
概要
| 表記: | 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine |
| 組成式: | C17 H17 Br F3 N O |
| 電荷: | 0 |
| 化学式量: | 388.222 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 | 1.9.2 | 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine |
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 | 1.03 | InChI=1S/C17H17BrF3NO/c1-22-10-9-15(12-5-3-2-4-6-12)23-16-8-7-13(11-14(16)18)17(19,20)21/h2-8,11,15,22H,9-10H2,1H3 |
| InChIKey | InChI | 1.03 | KZCOQBCCEHGWOG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCCC(Oc1ccc(cc1Br)C(F)(F)F)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CNCCC(Oc1ccc(cc1Br)C(F)(F)F)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNCCC(c1ccccc1)Oc2ccc(cc2Br)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNCCC(c1ccccc1)Oc2ccc(cc2Br)C(F)(F)F |
