| SpectraBase Spectrum ID |
Ccmis2e1nOS |
| Name |
3-(2-Chlorophenyl)-3-[[2-(4-ethylphenoxy)-1-oxoethyl]amino]propanoic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.139385953 u |
| Formula |
C21H24ClNO4 |
| InChI |
InChI=1S/C21H24ClNO4/c1-3-15-9-11-16(12-10-15)27-14-20(24)23-19(13-21(25)26-4-2)17-7-5-6-8-18(17)22/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,24) |
| InChIKey |
ABZVLZGLUNUJRF-UHFFFAOYSA-N |
| Molecular Weight |
389.879 g/mol |
| SMILES |
C=1(C=CC=CC1C(CC(OCC)=O)NC(=O)COC=1C=CC(=CC1)CC)Cl |
![3-(2-Chlorophenyl)-3-[[2-(4-ethylphenoxy)-1-oxoethyl]amino]propanoic acid ethyl ester](/api/spectrum/Ccmis2e1nOS/structure.png?h=300&w=458 "3-(2-Chlorophenyl)-3-[[2-(4-ethylphenoxy)-1-oxoethyl]amino]propanoic acid ethyl ester")
