A1CDQ
Summary
| Name: | (3R,4S)-4-phenoxypyrrolidin-3-ol |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3R,4S)-4-phenoxypyrrolidin-3-ol |
| OpenEye OEToolkits | 3.1.0.0 | (3~{R},4~{S})-4-phenoxypyrrolidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC1CNCC1Oc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H13NO2/c12-9-6-11-7-10(9)13-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10+/m1/s1 |
| InChIKey | InChI | 1.06 | KSSRVICONDWLSU-ZJUUUORDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CNC[C@@H]1Oc2ccccc2 |
| SMILES | CACTVS | 3.385 | O[CH]1CNC[CH]1Oc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)O[C@H]2CNC[C@H]2O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)OC2CNCC2O |
