| SpectraBase Spectrum ID |
9liYTUc1LI7 |
| Name |
3-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propionylamino]-benzoic acid, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.121571683 u |
| Formula |
C23H18N2O5 |
| InChI |
InChI=1S/C23H18N2O5/c1-30-23(29)15-7-2-8-16(13-15)24-19(26)11-12-25-21(27)17-9-3-5-14-6-4-10-18(20(14)17)22(25)28/h2-10,13H,11-12H2,1H3,(H,24,26) |
| InChIKey |
LJGKXWGIPDZGIG-UHFFFAOYSA-N |
| Molecular Weight |
402.406 g/mol |
| SMILES |
C1=CC2=C3C(=C1)C(=O)N(CCC(NC1=CC=CC(=C1)C(OC)=O)=O)C(C3=CC=C2)=O |
![3-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propionylamino]-benzoic acid, methyl ester](/api/spectrum/9liYTUc1LI7/structure.png?h=300&w=458 "3-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propionylamino]-benzoic acid, methyl ester")
