| SpectraBase Spectrum ID |
DzyUlevgmAo |
| Name |
4H-Benzo[B]pyrane-3-carboxylic acid, 5,6,7,8-tetrahydro-2-amino-5-oxo-4-(3-pyridyl)-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.126657064 u |
| Formula |
C17H18N2O4 |
| InChI |
InChI=1S/C17H18N2O4/c1-2-22-17(21)15-13(10-5-4-8-19-9-10)14-11(20)6-3-7-12(14)23-16(15)18/h4-5,8-9,13H,2-3,6-7,18H2,1H3 |
| InChIKey |
BHKKJCDYVINSOH-UHFFFAOYSA-N |
| Molecular Weight |
314.341 g/mol |
| SMILES |
CCOC(C=1C(C2=C(OC1N)CCCC2=O)C1=CC=CN=C1)=O |
![4H-Benzo[b]pyrane-3-carboxylic acid, 5,6,7,8-tetrahydro-2-amino-5-oxo-4-(3-pyridyl)-, ethyl ester](/api/spectrum/DzyUlevgmAo/structure.png?h=300&w=458 "4H-Benzo[b]pyrane-3-carboxylic acid, 5,6,7,8-tetrahydro-2-amino-5-oxo-4-(3-pyridyl)-, ethyl ester")
