[4-(4-iodophenyl)phenyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [4-(4-iodophenyl)phenyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [4-(4-iodophenyl)phenyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [4-(4-iodophenyl)phenyl] ester IUPAC Name: [4-(4-iodophenyl)phenyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [4-(4-iodophenyl)phenyl] ester Formula: C29H20INO2 MolecularWeight: 541.37907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)I

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)I

InChI

InChI=1S/C29H20INO2/c1-19-6-8-22(9-7-19)28-18-26(25-4-2-3-5-27(25)31-28)29(32)33-24-16-12-21(13-17-24)20-10-14-23(30)15-11-20/h2-18H,1H3