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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)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-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-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-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C28H23BrClNO3 MolecularWeight: 536.84412

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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=C(C=C4)C)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=C(C=C4)C)Br)Cl)C

InChI

InChI=1S/C28H23BrClNO3/c1-15-5-9-19(10-6-15)24-14-22(21-13-23(29)25(30)17(3)26(21)31-24)28(33)34-18(4)27(32)20-11-7-16(2)8-12-20/h5-14,18H,1-4H3