2-[4-phenyl-3-(phenylazanylmethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-phenyl-3-(phenylazanylmethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[3-(anilinomethyl)-4-phenyl-phenyl]quinoline-4-carboxylic acid CAS Name: 2-[3-(anilinomethyl)-4-phenylphenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[3-(anilinomethyl)-4-phenylphenyl]quinoline-4-carboxylic acid Traditional Name: 2-[3-(anilinomethyl)-4-phenyl-phenyl]cinchoninic acid Formula: C29H22N2O2 MolecularWeight: 430.49718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)CNC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)CNC5=CC=CC=C5

InChI

InChI=1S/C29H22N2O2/c32-29(33)26-18-28(31-27-14-8-7-13-25(26)27)21-15-16-24(20-9-3-1-4-10-20)22(17-21)19-30-23-11-5-2-6-12-23/h1-18,30H,19H2,(H,32,33)