| SpectraBase Spectrum ID |
85nTf6vmxOS |
| Name |
2-Amino-4-{4-[(4-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(7-10-19(21)30-13-14-5-8-16(25)9-6-14)22-17(12-26)24(27)31-20-4-2-3-18(28)23(20)22/h5-11,22H,2-4,13,27H2,1H3 |
| InChIKey |
SZZAIAXJWREINH-UHFFFAOYSA-N |
| Molecular Weight |
436.895 g/mol |
| SMILES |
NC1=C(C(C=2C(=O)CCCC2O1)C=1C=C(OC)C(=CC1)OCC1=CC=C(C=C1)Cl)C#N |
![2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile](/api/spectrum/85nTf6vmxOS/structure.png?h=300&w=458 "2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile")
