[2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-chlorophenyl)-3,7,8-trimethyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-chlorophenyl)-3,7,8-trimethyl-quinoline-4-carboxylate Openeye Name: [2-(4-acetoxyphenyl)-2-oxo-ethyl] 6-bromo-2-(3-chlorophenyl)-3,7,8-trimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-chlorophenyl)-3,7,8-trimethyl-4-quinolinecarboxylic acid [2-(4-acetyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyloxyphenyl)-2-oxoethyl] 6-bromo-2-(3-chlorophenyl)-3,7,8-trimethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-chlorophenyl)-3,7,8-trimethyl-cinchoninic acid [2-(4-acetoxyphenyl)-2-keto-ethyl] ester Formula: C29H23BrClNO5 MolecularWeight: 580.85362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H23BrClNO5/c1-15-16(2)28-23(13-24(15)30)26(17(3)27(32-28)20-6-5-7-21(31)12-20)29(35)36-14-25(34)19-8-10-22(11-9-19)37-18(4)33/h5-13H,14H2,1-4H3