[2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C17H17BrN2O3 MolecularWeight: 377.23248

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC(=CN=C1)Br)C2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)COC(=O)C1=CC(=CN=C1)Br)C2=CC=CC=C2

InChI

InChI=1S/C17H17BrN2O3/c1-12(13-5-3-2-4-6-13)8-20-16(21)11-23-17(22)14-7-15(18)10-19-9-14/h2-7,9-10,12H,8,11H2,1H3,(H,20,21)