| SpectraBase Spectrum ID |
I9jEUh7vOSe |
| Name |
Indole-2-carboxylic acid, 5-methoxy-3-(2-phthalimidoethyl)-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.137221747 u |
| Formula |
C22H20N2O5 |
| InChI |
InChI=1S/C22H20N2O5/c1-3-29-22(27)19-14(17-12-13(28-2)8-9-18(17)23-19)10-11-24-20(25)15-6-4-5-7-16(15)21(24)26/h4-9,12,23H,3,10-11H2,1-2H3 |
| InChIKey |
AGZWJQDJMAWCAW-UHFFFAOYSA-N |
| Molecular Weight |
392.411 g/mol |
| SMILES |
C1=2NC(=C(C2C=C(C=C1)OC)CCN1C(=O)C2=C(C1=O)C=CC=C2)C(=O)OCC |
