| SpectraBase Spectrum ID |
HHE84WPg8Xg |
| Name |
2-Methyl-5-oxo-4-(4-trifluoromethyl-phenyl)-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid benzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.155178058 u |
| Formula |
C25H22F3NO3 |
| InChI |
InChI=1S/C25H22F3NO3/c1-15-21(24(31)32-14-16-6-3-2-4-7-16)22(23-19(29-15)8-5-9-20(23)30)17-10-12-18(13-11-17)25(26,27)28/h2-4,6-7,10-13,22,29H,5,8-9,14H2,1H3 |
| InChIKey |
AEKKKQZGFKZCDI-UHFFFAOYSA-N |
| Molecular Weight |
441.450 g/mol |
| SMILES |
C1(=C(NC2=C(C1C=1C=CC(C(F)(F)F)=CC1)C(=O)CCC2)C)C(OCC1=CC=CC=C1)=O |
