[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)C

InChI

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