| SpectraBase Spectrum ID |
KzoI7nMMNVk |
| Name |
Benzenepropanoic acid, beta-(benzoylamino)-3-methoxy-, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.147786430 u |
| Formula |
C26H22N2O6 |
| InChI |
InChI=1S/C26H22N2O6/c1-33-19-11-7-10-18(14-19)22(27-24(30)17-8-3-2-4-9-17)15-23(29)34-16-28-25(31)20-12-5-6-13-21(20)26(28)32/h2-14,22H,15-16H2,1H3,(H,27,30) |
| InChIKey |
NCYZCRFJUQVXGL-UHFFFAOYSA-N |
| Molecular Weight |
458.470 g/mol |
| SMILES |
N(C(=O)C=1C=CC=CC1)C(CC(OCN1C(C=2C=CC=CC2C1=O)=O)=O)C1=CC(OC)=CC=C1 |
