[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 3,6-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3,6-dimethyl-2-(p-tolyl)cinchoninic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)OC(C)C(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)OC(C)C(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C29H27NO3/c1-17-6-11-22(12-7-17)27-20(4)26(24-16-19(3)10-15-25(24)30-27)29(32)33-21(5)28(31)23-13-8-18(2)9-14-23/h6-16,21H,1-5H3