| SpectraBase Spectrum ID |
2HvXJdL18yk |
| Name |
2-{(2-Chloroacetyl)-[1-(4-trifluoromethylphenyl)ethyl]amino}-3-phenylpropionic acid methyl ester isomer |
| Alternate Name(s) |
Methyl 2-((chloroacetyl){1-[4-(trifluoromethyl)phenyl]ethyl}amino)-3-phenylpropanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21ClF3NO3 |
| InChI |
InChI=1S/C21H21ClF3NO3/c1-14(16-8-10-17(11-9-16)21(23,24)25)26(19(27)13-22)18(20(28)29-2)12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3 |
| InChIKey |
CMAYRTLHYVLMBX-UHFFFAOYSA-N |
| Molecular Weight |
427.851 g/mol |
| SMILES |
C(N(C(=O)CCl)C(c1ccc(C(F)(F)F)cc1)C)(C(=O)OC)Cc1ccccc1 |
| SPLASH |
splash10-03di-1931000000-553820cb372ccd0c3366 |
| Source of Spectrum |
KC-61-1285-5 |
| Wiley ID |
1627519 |
![2-{(2-Chloroacetyl)-[1-(4-trifluoromethylphenyl)ethyl]amino}-3-phenylpropionic acid methyl ester isomer](/api/spectrum/2HvXJdL18yk/structure.png?h=300&w=458 "2-{(2-Chloroacetyl)-[1-(4-trifluoromethylphenyl)ethyl]amino}-3-phenylpropionic acid methyl ester isomer")
