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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3,6-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3,6-dimethyl-2-(p-tolyl)cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22BrNO3/c1-16-4-7-20(8-5-16)26-18(3)25(22-14-17(2)6-13-23(22)29-26)27(31)32-15-24(30)19-9-11-21(28)12-10-19/h4-14H,15H2,1-3H3