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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)C)C

InChI

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