| SpectraBase Spectrum ID |
IAKetn3HChg |
| Name |
Benzoic acid, 3-[[4-(5,7-dihydro-5,7-dioxo-6H-pyrrolo[3,4-B]pyridin-6-yl)-1-oxobutyl]amino]-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.132470719 u |
| Formula |
C20H19N3O5 |
| InChI |
InChI=1S/C20H19N3O5/c1-2-28-20(27)13-6-3-7-14(12-13)22-16(24)9-5-11-23-18(25)15-8-4-10-21-17(15)19(23)26/h3-4,6-8,10,12H,2,5,9,11H2,1H3,(H,22,24) |
| InChIKey |
XMDODEYFZCNQTM-UHFFFAOYSA-N |
| Molecular Weight |
381.388 g/mol |
| SMILES |
N(C(CCCN1C(C2=CC=CN=C2C1=O)=O)=O)C1=CC(C(=O)OCC)=CC=C1 |
![benzoic acid, 3-[[4-(5,7-dihydro-5,7-dioxo-6H-pyrrolo[3,4-b]pyridin-6-yl)-1-oxobutyl]amino]-, ethyl ester](/api/spectrum/IAKetn3HChg/structure.png?h=300&w=458 "benzoic acid, 3-[[4-(5,7-dihydro-5,7-dioxo-6H-pyrrolo[3,4-b]pyridin-6-yl)-1-oxobutyl]amino]-, ethyl ester")
