W5K
Summary
| Name: | (2~{R})-2-[(1~{R})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol |
| Formula: | C20 H26 F N O3 |
| Formal charge: | 0 |
| Formula weight: | 347.424 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[(1~{R})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H26FNO3/c1-3-20(25-14(2)13-24)17-9-8-15(12-19(17)22-10-11-23)16-6-4-5-7-18(16)21/h4-9,12,14,20,22-24H,3,10-11,13H2,1-2H3/t14-,20-/m1/s1 |
| InChIKey | InChI | 1.06 | FZXGUZYCKURVPY-JLTOFOAXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](O[C@H](C)CO)c1ccc(cc1NCCO)c2ccccc2F |
| SMILES | CACTVS | 3.385 | CC[CH](O[CH](C)CO)c1ccc(cc1NCCO)c2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](c1ccc(cc1NCCO)c2ccccc2F)O[C@H](C)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(c1ccc(cc1NCCO)c2ccccc2F)OC(C)CO |
