| SpectraBase Spectrum ID |
3CSqiiLIFCm |
| Name |
3-[2-(4-Chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.129215191 u |
| Formula |
C21H24ClNO6 |
| InChI |
InChI=1S/C21H24ClNO6/c1-12-7-15(8-13(2)21(12)22)29-11-19(24)23-16(10-20(25)26)14-5-6-17(27-3)18(9-14)28-4/h5-9,16H,10-11H2,1-4H3,(H,23,24)(H,25,26) |
| InChIKey |
DJWYQGXRSVXQRK-UHFFFAOYSA-N |
| Molecular Weight |
421.877 g/mol |
| SMILES |
C=1C(=C(C=CC1C(NC(=O)COC=1C=C(C(=C(C1)C)Cl)C)CC(O)=O)OC)OC |
![3-[2-(4-Chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid](/api/spectrum/3CSqiiLIFCm/structure.png?h=300&w=458 "3-[2-(4-Chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid")
