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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-(4-bromophenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6-methyl-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=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)C)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)C)C)C4=CC=C(C=C4)Br

InChI

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