[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-8-chloro-quinoline-4-carboxylate CAS Name: 8-chloro-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 8-chloro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-8-chloro-cinchoninic acid [2-(4-bromophenyl)-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)C3=NC4=C(C=CC=C4Cl)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=C(C=CC=C4Cl)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)Br

InChI

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