| SpectraBase Spectrum ID |
FTPSykIQocC |
| Name |
Pyridine-3-carboxylic acid, 1,4,5,6-tetrahydro-4-(4-methoxycarbonylphenyl)-2-methyl-6-oxo-, benzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.141972775 u |
| Formula |
C22H21NO5 |
| InChI |
InChI=1S/C22H21NO5/c1-14-20(22(26)28-13-15-6-4-3-5-7-15)18(12-19(24)23-14)16-8-10-17(11-9-16)21(25)27-2/h3-11,18H,12-13H2,1-2H3,(H,23,24) |
| InChIKey |
DHOKHUZIWCIPDT-UHFFFAOYSA-N |
| Molecular Weight |
379.412 g/mol |
| SMILES |
C1(=C(NC(CC1C=1C=CC(C(=O)OC)=CC1)=O)C)C(OCC1=CC=CC=C1)=O |
