Molecule ID: 445650

IUPAC Name: 5-oxo-5-[4-[(E)-2-phenylethenyl]anilino]pentanoic acid

Description: The molecule is a dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxyl groups of glutaric acid with the amino group of 4-aminostilbene. It has a role as an epitope. It is a monocarboxylic acid and a dicarboxylic acid monoamide. It derives from a glutaric acid. It derives from a hydride of a stilbene.

SMILES: O=C(O)CCCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1

SELFIES: [O][=C][Branch1][C][O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]

InChI: InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 3.2