[2-oxidanylidene-2-[4-(phenylcarbonyloxy)phenyl]ethyl] 2-(4-bromophenyl)-6-chloranyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbonyloxy)phenyl]ethyl] 2-(4-bromophenyl)-6-chloranyl-quinoline-4-carboxylate Openeye Name: [2-(4-benzoyloxyphenyl)-2-oxo-ethyl] 2-(4-bromophenyl)-6-chloro-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6-chloro-4-quinolinecarboxylic acid [2-(4-benzoyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6-chloro-cinchoninic acid [2-(4-benzoyloxyphenyl)-2-keto-ethyl] ester Formula: C31H19BrClNO5 MolecularWeight: 600.84326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Br

InChI

InChI=1S/C31H19BrClNO5/c32-22-10-6-19(7-11-22)28-17-26(25-16-23(33)12-15-27(25)34-28)31(37)38-18-29(35)20-8-13-24(14-9-20)39-30(36)21-4-2-1-3-5-21/h1-17H,18H2