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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 6-bromo-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 6-bromo-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-methoxyphenyl)-8-methyl-cinchoninic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C28H24BrNO4 MolecularWeight: 518.39846

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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)OC)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)OC)C

InChI

InChI=1S/C28H24BrNO4/c1-16-8-9-20(10-17(16)2)26(31)15-34-28(32)24-14-25(19-6-5-7-22(12-19)33-4)30-27-18(3)11-21(29)13-23(24)27/h5-14H,15H2,1-4H3