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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 6-bromo-8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 6-bromo-8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-phenyl-cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C26H20BrNO3 MolecularWeight: 474.3459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=CC=C4

InChI

InChI=1S/C26H20BrNO3/c1-16-8-10-19(11-9-16)24(29)15-31-26(30)22-14-23(18-6-4-3-5-7-18)28-25-17(2)12-20(27)13-21(22)25/h3-14H,15H2,1-2H3