[2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-acetoxyphenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-8-ethyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-acetyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyloxyphenyl)-2-oxoethyl] 6-bromo-8-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-8-ethyl-cinchoninic acid [2-(4-acetoxyphenyl)-2-keto-ethyl] ester Formula: C35H28BrNO6 MolecularWeight: 638.50392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C

InChI

InChI=1S/C35H28BrNO6/c1-3-24-17-27(36)18-30-31(35(40)42-21-33(39)26-11-15-29(16-12-26)43-22(2)38)19-32(37-34(24)30)25-9-13-28(14-10-25)41-20-23-7-5-4-6-8-23/h4-19H,3,20-21H2,1-2H3