| SpectraBase Spectrum ID |
B22DXw8RVp3 |
| Name |
2-Benzofuranbutanoic acid, 3-[[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxobutyl]amino]-.gamma.-oxo-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.142701049 u |
| Formula |
C25H22N2O7 |
| InChI |
InChI=1S/C25H22N2O7/c1-33-21(30)13-12-18(28)23-22(17-9-4-5-10-19(17)34-23)26-20(29)11-6-14-27-24(31)15-7-2-3-8-16(15)25(27)32/h2-5,7-10H,6,11-14H2,1H3,(H,26,29) |
| InChIKey |
HKEBWEDGVIFWSG-UHFFFAOYSA-N |
| Molecular Weight |
462.458 g/mol |
| SMILES |
C=1C=CC=2C(NC(CCCN3C(C=4C=CC=CC4C3=O)=O)=O)=C(OC2C1)C(=O)CCC(=O)OC |
![2-Benzofuranbutanoic acid, 3-[[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxobutyl]amino]-.gamma.-oxo-, methyl ester](/api/spectrum/B22DXw8RVp3/structure.png?h=300&w=458 "2-Benzofuranbutanoic acid, 3-[[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxobutyl]amino]-.gamma.-oxo-, methyl ester")
