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

Systemtic Name: [2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 6-bromanyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-2-oxo-ethyl] 6-bromo-3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-3-methyl-2-(p-tolyl)cinchoninic acid [2-(4-benzoxyphenyl)-2-keto-ethyl] ester Formula: C33H26BrNO4 MolecularWeight: 580.46784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)OCC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)OCC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C33H26BrNO4/c1-21-8-10-25(11-9-21)32-22(2)31(28-18-26(34)14-17-29(28)35-32)33(37)39-20-30(36)24-12-15-27(16-13-24)38-19-23-6-4-3-5-7-23/h3-18H,19-20H2,1-2H3