[2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-heptylphenyl)-2-oxo-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-heptylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-heptylphenyl)-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-methyl-2-phenyl-cinchoninic acid [2-(4-heptylphenyl)-2-keto-ethyl] ester Formula: C32H33NO3 MolecularWeight: 479.60932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C32H33NO3/c1-3-4-5-6-8-11-24-15-17-26(18-16-24)31(34)22-36-32(35)28-21-30(25-12-9-7-10-13-25)33-29-19-14-23(2)20-27(28)29/h7,9-10,12-21H,3-6,8,11,22H2,1-2H3