4-chloro-2-[(2E)-3-(4-pentylphenyl)prop-2-enamido]benzoic acid

CAS: 99754-06-0

Formula: C21H22ClNO3

SMILES: CCCCCC1=CC=C(C=CC(=O)NC2=CC(Cl)=CC=C2C(O)=O)C=C1

IUPAC: 4-chloro-2-[(2E)-3-(4-pentylphenyl)prop-2-enamido]benzoic acid

InChI: InChI=1S/C21H22ClNO3/c1-2-3-4-5-15-6-8-16(9-7-15)10-13-20(24)23-19-14-17(22)11-12-18(19)21(25)26/h6-14H,2-5H2,1H3,(H,23,24)(H,25,26)/b13-10+

Composition: C (67.83%), H (5.96%), Cl (9.53%), N (3.77%), O (12.91%)

Molar Mass: 371.86

Atom Count: 48

Heavy Atom Count: 26