| SpectraBase Spectrum ID |
7ervpQa3qSS |
| Name |
Benzenepropanoic acid, .alpha.-[1-(benzoylamino)ethyl]-.beta.-hydroxy-, ethyl ester, [.alpha.R*(S*),.beta.R*]-(.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.162708221 u |
| Formula |
C20H23NO4 |
| InChI |
InChI=1S/C20H23NO4/c1-3-25-20(24)17(18(22)15-10-6-4-7-11-15)14(2)21-19(23)16-12-8-5-9-13-16/h4-14,17-18,22H,3H2,1-2H3,(H,21,23)/t14?,17-,18+/m1/s1 |
| InChIKey |
SEZLJSZUZYRKFL-QIWLAUOQSA-N |
| Molecular Weight |
341.407 g/mol |
| SMILES |
[C@@](C(NC(=O)C1=CC=CC=C1)C)(C(=O)OCC)([C@](C=1C=CC=CC1)(O)[H])[H] |
![Benzenepropanoic acid, .alpha.-[1-(benzoylamino)ethyl]-.beta.-hydroxy-, ethyl ester, [.alpha.R*(S*),.beta.R*]-(.+-.)-](/api/spectrum/7ervpQa3qSS/structure.png?h=300&w=458 "Benzenepropanoic acid, .alpha.-[1-(benzoylamino)ethyl]-.beta.-hydroxy-, ethyl ester, [.alpha.R*(S*),.beta.R*]-(.+-.)-")
