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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 6-ethyl-3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-ethyl-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-ethyl-3-methyl-2-(p-tolyl)cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C28H24BrNO3 MolecularWeight: 502.39906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)C)C)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)C)C)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H24BrNO3/c1-4-19-7-14-24-23(15-19)26(18(3)27(30-24)21-8-5-17(2)6-9-21)28(32)33-16-25(31)20-10-12-22(29)13-11-20/h5-15H,4,16H2,1-3H3