3-[[4-[2-(3-chloranyl-4-methyl-phenyl)ethyl]phenyl]amino]benzoic acid

Systemtic Name: 3-[[4-[2-(3-chloranyl-4-methyl-phenyl)ethyl]phenyl]amino]benzoic acid Openeye Name: 3-[4-[2-(3-chloro-4-methyl-phenyl)ethyl]anilino]benzoic acid CAS Name: 3-[4-[2-(3-chloro-4-methylphenyl)ethyl]anilino]benzoic acid IUPAC Name: 3-[4-[2-(3-chloro-4-methylphenyl)ethyl]anilino]benzoic acid Traditional Name: 3-[4-[2-(3-chloro-4-methyl-phenyl)ethyl]anilino]benzoic acid Formula: C22H20ClNO2 MolecularWeight: 365.8527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC2=CC=C(C=C2)NC3=CC=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC2=CC=C(C=C2)NC3=CC=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C22H20ClNO2/c1-15-5-6-17(13-21(15)23)8-7-16-9-11-19(12-10-16)24-20-4-2-3-18(14-20)22(25)26/h2-6,9-14,24H,7-8H2,1H3,(H,25,26)