[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3,6,8-trimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3,6,8-trimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3,6,8-trimethyl-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:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2C)C(=O)OCC(=O)C4=CC=C(C=C4)Br)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2C)C(=O)OCC(=O)C4=CC=C(C=C4)Br)C)C

InChI

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