VRR
Summary
| Name: | ethyl N-benzyl-beta-alaninate |
| Formula: | C12 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 207.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl N-benzyl-beta-alaninate |
| OpenEye OEToolkits | 2.0.7 | ethyl 3-[(phenylmethyl)amino]propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)CCNCc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H17NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3 |
| InChIKey | InChI | 1.06 | HCTJHQFFNDLDPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCNCc1ccccc1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)CCNCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCNCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCNCc1ccccc1 |
