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

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

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=C(C=C5)Br

InChI

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