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

Systemtic Name: [2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-heptylphenyl)-2-oxo-ethyl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-(4-heptylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-heptylphenyl)-2-oxoethyl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)cinchoninic acid [2-(4-heptylphenyl)-2-keto-ethyl] ester Formula: C31H29BrClNO3 MolecularWeight: 578.92386

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C31H29BrClNO3/c1-2-3-4-5-6-7-21-8-10-23(11-9-21)30(35)20-37-31(36)27-19-29(22-12-15-25(33)16-13-22)34-28-17-14-24(32)18-26(27)28/h8-19H,2-7,20H2,1H3