| SpectraBase Spectrum ID |
LBsUrB8BGqb |
| Name |
Dimethyl 5-({[2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)isophthalate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.152871811 u |
| Formula |
C27H22N2O5 |
| InChI |
InChI=1S/C27H22N2O5/c1-16-7-6-8-17(11-16)24-15-22(21-9-4-5-10-23(21)29-24)25(30)28-20-13-18(26(31)33-2)12-19(14-20)27(32)34-3/h4-15H,1-3H3,(H,28,30) |
| InChIKey |
DLBFDKNCDAXKDM-UHFFFAOYSA-N |
| Molecular Weight |
454.482 g/mol |
| SMILES |
N(C=1C=C(C=C(C(=O)OC)C1)C(=O)OC)C(C1=CC(C2=CC(C)=CC=C2)=NC=2C1=CC=CC2)=O |
![Dimethyl 5-({[2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)isophthalate](/api/spectrum/LBsUrB8BGqb/structure.png?h=300&w=458 "Dimethyl 5-({[2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)isophthalate")
