[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-(4-benzyloxyphenyl)-6-bromo-8-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 6-bromo-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-8-ethyl-3-methyl-cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C35H30BrNO4 MolecularWeight: 608.521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H30BrNO4/c1-4-25-18-28(36)19-30-32(35(39)41-21-31(38)26-12-10-22(2)11-13-26)23(3)33(37-34(25)30)27-14-16-29(17-15-27)40-20-24-8-6-5-7-9-24/h5-19H,4,20-21H2,1-3H3