[2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromo-2,5-dimethyl-anilino)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(4-bromo-2,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C26H20Br2N2O3 MolecularWeight: 568.2566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H20Br2N2O3/c1-15-12-23(16(2)11-21(15)28)30-25(31)14-33-26(32)20-13-24(17-7-9-18(27)10-8-17)29-22-6-4-3-5-19(20)22/h3-13H,14H2,1-2H3,(H,30,31)