| SpectraBase Spectrum ID |
Ido0DQ78w7E |
| Name |
2-Amino-4-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-7,7-dimethyl-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 |
448.179835452 u |
| Formula |
C26H25FN2O4 |
| InChI |
InChI=1S/C26H25FN2O4/c1-26(2)11-19(30)24-22(12-26)33-25(29)18(13-28)23(24)16-6-9-20(21(10-16)31-3)32-14-15-4-7-17(27)8-5-15/h4-10,23H,11-12,14,29H2,1-3H3 |
| InChIKey |
YAFKXLPDZNMZJI-UHFFFAOYSA-N |
| Molecular Weight |
448.494 g/mol |
| SMILES |
NC1=C(C(C=2C(CC(CC2O1)(C)C)=O)C=1C=C(OC)C(=CC1)OCC=1C=CC(=CC1)F)C#N |
![2-amino-4-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile](/api/spectrum/Ido0DQ78w7E/structure.png?h=300&w=458 "2-amino-4-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile")
