[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-heptylphenyl)-8-methyl-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-(4-heptylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-heptylphenyl)-8-methyl-cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C33H35NO3 MolecularWeight: 493.6359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C33H35NO3/c1-4-5-6-7-8-11-25-15-19-26(20-16-25)30-21-29(28-12-9-10-24(3)32(28)34-30)33(36)37-22-31(35)27-17-13-23(2)14-18-27/h9-10,12-21H,4-8,11,22H2,1-3H3