[4-(2-phenylpropan-2-yl)phenyl] 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate

Systemtic Name: [4-(2-phenylpropan-2-yl)phenyl] 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate Openeye Name: [4-(1-methyl-1-phenyl-ethyl)phenyl] 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3,6,8-trimethyl-4-quinolinecarboxylic acid [4-(2-phenylpropan-2-yl)phenyl] ester IUPAC Name: [4-(2-phenylpropan-2-yl)phenyl] 2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3,6,8-trimethyl-cinchoninic acid (4-cumylphenyl) ester Formula: C34H30ClNO2 MolecularWeight: 520.0605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)OC4=CC=C(C=C4)C(C)(C)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)OC4=CC=C(C=C4)C(C)(C)C5=CC=CC=C5)C

InChI

InChI=1S/C34H30ClNO2/c1-21-18-22(2)31-29(19-21)30(23(3)32(36-31)24-10-9-13-27(35)20-24)33(37)38-28-16-14-26(15-17-28)34(4,5)25-11-7-6-8-12-25/h6-20H,1-5H3