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

Systemtic Name: [2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromo-2,3-dimethyl-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-2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3-methyl-2-(p-tolyl)cinchoninic acid [2-(4-bromo-2,3-dimethyl-anilino)-2-keto-ethyl] ester Formula: C28H25BrN2O3 MolecularWeight: 517.4137

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

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)NC4=C(C(=C(C=C4)Br)C)C

InChI

InChI=1S/C28H25BrN2O3/c1-16-9-11-20(12-10-16)27-19(4)26(21-7-5-6-8-24(21)31-27)28(33)34-15-25(32)30-23-14-13-22(29)17(2)18(23)3/h5-14H,15H2,1-4H3,(H,30,32)