W4J
概要
| 表記: | (1R)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol |
| 組成式: | C16 H24 F N O2 |
| 電荷: | 0 |
| 化学式量: | 281.366 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (1R)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-3-azanyl-1-[3-(cyclohexylmethoxy)-4-fluoranyl-phenyl]propan-1-ol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(C(c1ccc(c(c1)OCC2CCCCC2)F)O)CN |
| InChI | InChI | 1.03 | InChI=1S/C16H24FNO2/c17-14-7-6-13(15(19)8-9-18)10-16(14)20-11-12-4-2-1-3-5-12/h6-7,10,12,15,19H,1-5,8-9,11,18H2/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | CYDVSJHNBXQOGZ-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC[C@@H](O)c1ccc(F)c(OCC2CCCCC2)c1 |
| SMILES | CACTVS | 3.385 | NCC[CH](O)c1ccc(F)c(OCC2CCCCC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[C@@H](CCN)O)OCC2CCCCC2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(CCN)O)OCC2CCCCC2)F |
