[2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2-(4-butylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2-(4-butylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-butylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-butylphenyl)-6-methyl-4-quinolinecarboxylic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-butylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-butylphenyl)-6-methyl-cinchoninic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C35H31NO3 MolecularWeight: 513.62554

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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)OCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H31NO3/c1-3-4-8-25-12-14-28(15-13-25)33-22-31(30-21-24(2)11-20-32(30)36-33)35(38)39-23-34(37)29-18-16-27(17-19-29)26-9-6-5-7-10-26/h5-7,9-22H,3-4,8,23H2,1-2H3