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

Systemtic Name: [2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-2-oxo-ethyl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)cinchoninic acid [2-(4-benzoxyphenyl)-2-keto-ethyl] ester Formula: C31H21BrClNO4 MolecularWeight: 586.85974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H21BrClNO4/c32-23-10-15-28-26(16-23)27(17-29(34-28)21-6-11-24(33)12-7-21)31(36)38-19-30(35)22-8-13-25(14-9-22)37-18-20-4-2-1-3-5-20/h1-17H,18-19H2