[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [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 [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3,6-dimethyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C28H25NO3 MolecularWeight: 423.503

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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)OCC(=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)OCC(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C28H25NO3/c1-17-5-10-21(11-6-17)25(30)16-32-28(31)26-20(4)27(22-12-7-18(2)8-13-22)29-24-14-9-19(3)15-23(24)26/h5-15H,16H2,1-4H3