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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-butylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-(4-butylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-butylphenyl)-6-methyl-4-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-butylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-butylphenyl)-6-methyl-cinchoninic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C31H31NO3/c1-5-6-7-23-11-15-24(16-12-23)29-19-27(26-18-21(3)10-17-28(26)32-29)31(34)35-22(4)30(33)25-13-8-20(2)9-14-25/h8-19,22H,5-7H2,1-4H3