[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-keto-2-(2,4,5-trimethylphenyl)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(=C2)C(=O)OCC(=O)C4=CC(=C(C=C4C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC(=C(C=C4C)C)C

InChI

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