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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 6-bromo-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-3,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 6-bromo-3,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-3,8-dimethyl-2-phenyl-cinchoninic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C28H24BrNO3 MolecularWeight: 502.39906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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