[2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-acetoxyphenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-acetyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyloxyphenyl)-2-oxoethyl] 6-bromo-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-3-methyl-cinchoninic acid [2-(4-acetoxyphenyl)-2-keto-ethyl] ester Formula: C34H26BrNO6 MolecularWeight: 624.47734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C)Br)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C)Br)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C34H26BrNO6/c1-21-32(34(39)41-20-31(38)24-8-15-28(16-9-24)42-22(2)37)29-18-26(35)12-17-30(29)36-33(21)25-10-13-27(14-11-25)40-19-23-6-4-3-5-7-23/h3-18H,19-20H2,1-2H3