[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 6-bromo-7-chloro-8-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 6-bromo-7-chloro-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-8-methyl-2-(p-tolyl)cinchoninic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C27H20BrCl2NO3 MolecularWeight: 557.2626

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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)OC(C)C(=O)C4=CC(=CC=C4)Cl)Br)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C27H20BrCl2NO3/c1-14-7-9-17(10-8-14)23-13-21(20-12-22(28)24(30)15(2)25(20)31-23)27(33)34-16(3)26(32)18-5-4-6-19(29)11-18/h4-13,16H,1-3H3