| SpectraBase Spectrum ID |
HcnrrI6dQvK |
| Name |
Methyl 4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.204573033 u |
| Formula |
C27H29NO5 |
| InChI |
InChI=1S/C27H29NO5/c1-16-8-10-18(11-9-16)15-33-22-13-12-19(14-23(22)31-3)25-24(27(30)32-4)17(2)28-20-6-5-7-21(29)26(20)25/h8-14,25,28H,5-7,15H2,1-4H3 |
| InChIKey |
LXWIBGAMFBRGIR-UHFFFAOYSA-N |
| Molecular Weight |
447.531 g/mol |
| SMILES |
N1C(=C(C(C=2C(CCCC12)=O)C=1C=C(OC)C(=CC1)OCC1=CC=C(C=C1)C)C(=O)OC)C |
![Methyl 4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate](/api/spectrum/HcnrrI6dQvK/structure.png?h=300&w=458 "Methyl 4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate")
