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

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2-(4-hexylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-hexylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-hexylphenyl)-6-methyl-4-quinolinecarboxylic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-hexylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-hexylphenyl)-6-methyl-cinchoninic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C37H35NO3 MolecularWeight: 541.6787

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

Isomeric SMILES

CCCCCCC1=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/C37H35NO3/c1-3-4-5-7-10-27-14-16-30(17-15-27)35-24-33(32-23-26(2)13-22-34(32)38-35)37(40)41-25-36(39)31-20-18-29(19-21-31)28-11-8-6-9-12-28/h6,8-9,11-24H,3-5,7,10,25H2,1-2H3