[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 6-bromo-8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 6-bromo-8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-phenyl-cinchoninic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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