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

Systemtic Name: [2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-chlorophenyl)-7,8-dimethyl-quinoline-4-carboxylate Openeye Name: [2-(4-acetoxyphenyl)-2-oxo-ethyl] 6-bromo-2-(4-chlorophenyl)-7,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-7,8-dimethyl-4-quinolinecarboxylic acid [2-(4-acetyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyloxyphenyl)-2-oxoethyl] 6-bromo-2-(4-chlorophenyl)-7,8-dimethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)-7,8-dimethyl-cinchoninic acid [2-(4-acetoxyphenyl)-2-keto-ethyl] ester Formula: C28H21BrClNO5 MolecularWeight: 566.82704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=NC2=C1C)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C)Br

Isomeric SMILES

CC1=C(C=C2C(=CC(=NC2=C1C)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C)Br

InChI

InChI=1S/C28H21BrClNO5/c1-15-16(2)27-22(12-24(15)29)23(13-25(31-27)18-4-8-20(30)9-5-18)28(34)35-14-26(33)19-6-10-21(11-7-19)36-17(3)32/h4-13H,14H2,1-3H3