| SpectraBase Spectrum ID |
7lGYsMUQXYZ |
| Name |
3-Quinolinecarboxylic acid, 7-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-4-(4-methoxyphenyl)-2-methyl-5-oxo-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.139385953 u |
| Formula |
C25H24ClNO4 |
| InChI |
InChI=1S/C25H24ClNO4/c1-14-22(25(29)31-3)23(16-6-10-19(30-2)11-7-16)24-20(27-14)12-17(13-21(24)28)15-4-8-18(26)9-5-15/h4-11,17,23,27H,12-13H2,1-3H3 |
| InChIKey |
SHWVRBBIWSTVKO-UHFFFAOYSA-N |
| Molecular Weight |
437.923 g/mol |
| SMILES |
N1C2=C(C(C(=C1C)C(=O)OC)C1=CC=C(C=C1)OC)C(CC(C2)C=1C=CC(=CC1)Cl)=O |
