[2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC(=CN1)Br)C2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)COC(=O)C1=CC(=CN1)Br)C2=CC=CC=C2

InChI

InChI=1S/C16H17BrN2O3/c1-11(12-5-3-2-4-6-12)8-19-15(20)10-22-16(21)14-7-13(17)9-18-14/h2-7,9,11,18H,8,10H2,1H3,(H,19,20)