[2-[(4-bromanyl-5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-bromanyl-5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromo-5-chloro-2-methyl-anilino)-2-oxo-ethyl] 3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-bromo-5-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-5-chloro-2-methylanilino)-2-oxoethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3-methyl-2-(p-tolyl)cinchoninic acid [2-(4-bromo-5-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C27H22BrClN2O3 MolecularWeight: 537.83218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)NC4=CC(=C(C=C4C)Br)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)NC4=CC(=C(C=C4C)Br)Cl

InChI

InChI=1S/C27H22BrClN2O3/c1-15-8-10-18(11-9-15)26-17(3)25(19-6-4-5-7-22(19)31-26)27(33)34-14-24(32)30-23-13-21(29)20(28)12-16(23)2/h4-13H,14H2,1-3H3,(H,30,32)