[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3-methyl-2-(p-tolyl)cinchoninic acid [2-keto-1-methyl-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=NC3=CC=CC=C3C(=C2C)C(=O)OC(C)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OC(C)C(=O)C4=CC=C(C=C4)C

InChI

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