2-(2-methylphenyl)-4-[[phenyl-(phenylmethyl)amino]methyl]benzoic acid

Systemtic Name: 2-(2-methylphenyl)-4-[[phenyl-(phenylmethyl)amino]methyl]benzoic acid Openeye Name: 4-[(N-benzylanilino)methyl]-2-(o-tolyl)benzoic acid CAS Name: 2-(2-methylphenyl)-4-[(N-(phenylmethyl)anilino)methyl]benzoic acid IUPAC Name: 4-[(N-benzylanilino)methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[(N-benzylanilino)methyl]-2-(o-tolyl)benzoic acid Formula: C28H25NO2 MolecularWeight: 407.5036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H25NO2/c1-21-10-8-9-15-25(21)27-18-23(16-17-26(27)28(30)31)20-29(24-13-6-3-7-14-24)19-22-11-4-2-5-12-22/h2-18H,19-20H2,1H3,(H,30,31)