[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C28H25BrN2O3 MolecularWeight: 517.4137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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