[2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-heptylphenyl)-2-oxo-ethyl] 6-bromo-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-heptylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-heptylphenyl)-2-oxoethyl] 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(p-tolyl)cinchoninic acid [2-(4-heptylphenyl)-2-keto-ethyl] ester Formula: C32H32BrNO3 MolecularWeight: 558.50538

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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)Br)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C32H32BrNO3/c1-3-4-5-6-7-8-23-11-15-25(16-12-23)31(35)21-37-32(36)28-20-30(24-13-9-22(2)10-14-24)34-29-18-17-26(33)19-27(28)29/h9-20H,3-8,21H2,1-2H3