| SpectraBase Spectrum ID |
6c4E5CUEZTU |
| Name |
2-[Benzoyl-(1-oxobut-2-ynyl)-amino]-2-benzylhexa-3,4-dienoic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H23NO4 |
| InChI |
InChI=1S/C25H23NO4/c1-4-6-18-25(24(29)30-3,19-20-14-9-7-10-15-20)26(22(27)13-5-2)23(28)21-16-11-8-12-17-21/h4,7-12,14-18H,19H2,1-3H3 |
| InChIKey |
ALHSFJGTYXQNER-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol062842u |
| Molecular Weight |
401.462 g/mol |
| SMILES |
C(N(C(c1ccccc1)=O)C(=O)C#CC)(Cc1ccccc1)(C(OC)=O)C=C=CC |
| SPLASH |
splash10-0pb9-3912500000-ab0d0371ce78afc2d70c |
| Source of Spectrum |
A1-9-347/SMS12-4l |
| Synonyms |
Methyl 2-benzyl-2-(N-(but-2-ynoyl)benzamido)hexa-3,4-dienoate |
| Wiley ID |
1757833 |
![2-[Benzoyl-(1-oxobut-2-ynyl)-amino]-2-benzylhexa-3,4-dienoic acid methyl ester](/api/spectrum/6c4E5CUEZTU/structure.png?h=300&w=458 "2-[Benzoyl-(1-oxobut-2-ynyl)-amino]-2-benzylhexa-3,4-dienoic acid methyl ester")
