A1BEO
Summary
| Name: | 3-[(1R)-3-amino-1-hydroxypropyl]phenyl 2-ethylbutanoate |
| Formula: | C15 H23 N O3 |
| Formal charge: | 0 |
| Formula weight: | 265.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-[(1R)-3-amino-1-hydroxypropyl]phenyl 2-ethylbutanoate |
| OpenEye OEToolkits | 3.1.0.0 | [3-[(1~{R})-3-azanyl-1-oxidanyl-propyl]phenyl] 2-ethylbutanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Oc1cc(ccc1)C(O)CCN)C(CC)CC |
| InChI | InChI | 1.06 | InChI=1S/C15H23NO3/c1-3-11(4-2)15(18)19-13-7-5-6-12(10-13)14(17)8-9-16/h5-7,10-11,14,17H,3-4,8-9,16H2,1-2H3 |
| InChIKey | InChI | 1.06 | LERLIJBLOOAQOT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)C(=O)Oc1cccc(c1)[C@H](O)CCN |
| SMILES | CACTVS | 3.385 | CCC(CC)C(=O)Oc1cccc(c1)[CH](O)CCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC(CC)C(=O)Oc1cccc(c1)[C@@H](CCN)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(CC)C(=O)Oc1cccc(c1)C(CCN)O |
