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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-(4-butylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-(4-butylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-butylphenyl)-8-methyl-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-(4-butylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-butylphenyl)-8-methyl-cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C30H29NO3 MolecularWeight: 451.55616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=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/C30H29NO3/c1-4-5-8-22-12-16-23(17-13-22)27-18-26(25-9-6-7-21(3)29(25)31-27)30(33)34-19-28(32)24-14-10-20(2)11-15-24/h6-7,9-18H,4-5,8,19H2,1-3H3