[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-heptylphenyl)-8-methyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(4-heptylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-heptylphenyl)-8-methyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C32H32BrNO3 MolecularWeight: 558.50538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C32H32BrNO3/c1-3-4-5-6-7-10-23-12-14-24(15-13-23)29-20-28(27-11-8-9-22(2)31(27)34-29)32(36)37-21-30(35)25-16-18-26(33)19-17-25/h8-9,11-20H,3-7,10,21H2,1-2H3