Molecule ID: 56928003

IUPAC Name: 5-[4-[(E)-2-(4-cyanophenyl)ethenyl]-N-methylanilino]pentanoic acid

Description: The molecule is a tertiary amino compound in which nitrogen is substituted by a methyl group, a 5-carboxypentyl group and a 4-[2-(4-cyanophenyl)vinyl]phenyl group. It is a monocarboxylic acid, a tertiary amino compound and a nitrile.

SMILES: CN(CCCCC(=O)O)c1ccc(/C=C/c2ccc(C#N)cc2)cc1

SELFIES: [C][N][Branch1][#Branch2][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#C][/C][=C][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][S]

InChI: InChI=1S/C21H22N2O2/c1-23(15-3-2-4-21(24)25)20-13-11-18(12-14-20)6-5-17-7-9-19(16-22)10-8-17/h5-14H,2-4,15H2,1H3,(H,24,25)/b6-5+

Molecular Properties:
- Polar Surface Area: 64.3 Ų
- LogP: 4.2