[2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-acetoxyphenyl)-2-oxo-ethyl] 6-bromo-7,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-7,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-acetyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyloxyphenyl)-2-oxoethyl] 6-bromo-7,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-7,8-dimethyl-2-(p-tolyl)cinchoninic acid [2-(4-acetoxyphenyl)-2-keto-ethyl] ester Formula: C29H24BrNO5 MolecularWeight: 546.40856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C)Br)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C)Br)C)C

InChI

InChI=1S/C29H24BrNO5/c1-16-5-7-20(8-6-16)26-14-24(23-13-25(30)17(2)18(3)28(23)31-26)29(34)35-15-27(33)21-9-11-22(12-10-21)36-19(4)32/h5-14H,15H2,1-4H3