Molecule ID: 5353376

IUPAC Name: 2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid

Description: The molecule is an amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 4-pentylcinnamoyl group. It is a transient receptor potential (TRP) channel blocker and phospholipase A2 (PLA2) inhibitor. It has a role as an EC 3.1.1.4 (phospholipase A2) inhibitor and a TRP channel blocker. It is an amidobenzoic acid, a member of cinnamamides and a secondary carboxamide.

SMILES: CCCCCc1ccc(/C=C/C(O)=Nc2ccccc2C(=O)O)cc1

SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][/C][=C][/C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 6.4