[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-hexylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-hexylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-(4-hexylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-hexylphenyl)-6-methyl-4-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-hexylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-hexylphenyl)-6-methyl-cinchoninic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C33H35NO3 MolecularWeight: 493.6359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OC(C)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OC(C)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C33H35NO3/c1-5-6-7-8-9-25-13-17-26(18-14-25)31-21-29(28-20-23(3)12-19-30(28)34-31)33(36)37-24(4)32(35)27-15-10-22(2)11-16-27/h10-21,24H,5-9H2,1-4H3