[2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(1,2-diphenylethylamino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(1,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-diphenylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(1,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C22H19BrN2O3 MolecularWeight: 439.30186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C22H19BrN2O3/c23-19-12-18(13-24-14-19)22(27)28-15-21(26)25-20(17-9-5-2-6-10-17)11-16-7-3-1-4-8-16/h1-10,12-14,20H,11,15H2,(H,25,26)