| SpectraBase Spectrum ID |
7WHAE5e6CbK |
| Name |
2-Amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.134634925 u |
| Formula |
C25H23ClN2O4 |
| InChI |
InChI=1S/C25H23ClN2O4/c1-2-30-22-12-15(10-11-20(22)31-14-16-6-3-4-7-18(16)26)23-17(13-27)25(28)32-21-9-5-8-19(29)24(21)23/h3-4,6-7,10-12,23H,2,5,8-9,14,28H2,1H3 |
| InChIKey |
JFDCRWMLHFGWOS-UHFFFAOYSA-N |
| Molecular Weight |
450.922 g/mol |
| SMILES |
NC1=C(C(C=2C(=O)CCCC2O1)C=1C=C(OCC)C(=CC1)OCC=1C(Cl)=CC=CC1)C#N |
![2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile](/api/spectrum/7WHAE5e6CbK/structure.png?h=300&w=458 "2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile")
