| SpectraBase Spectrum ID |
3lNiVG9OUJN |
| Name |
2-Amino-4-{4-[(3-chlorobenzyl)oxy]-3-methoxyphenyl}-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 |
436.118984860 u |
| Formula |
C24H21ClN2O4 |
| InChI |
InChI=1S/C24H21ClN2O4/c1-29-21-11-15(8-9-19(21)30-13-14-4-2-5-16(25)10-14)22-17(12-26)24(27)31-20-7-3-6-18(28)23(20)22/h2,4-5,8-11,22H,3,6-7,13,27H2,1H3 |
| InChIKey |
HUWJOAXKDJFNPR-UHFFFAOYSA-N |
| Molecular Weight |
436.895 g/mol |
| SMILES |
NC1=C(C(C=2C(=O)CCCC2O1)C=1C=C(OC)C(=CC1)OCC1=CC(Cl)=CC=C1)C#N |
![2-amino-4-{4-[(3-chlorobenzyl)oxy]-3-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile](/api/spectrum/3lNiVG9OUJN/structure.png?h=300&w=458 "2-amino-4-{4-[(3-chlorobenzyl)oxy]-3-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile")
