[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [(1S)-1-(benzylcarbamoyl)propyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxobutan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [(1S)-1-(benzylcarbamoyl)propyl] ester Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C16H17BrN2O3/c1-2-14(22-16(21)13-8-12(17)10-18-13)15(20)19-9-11-6-4-3-5-7-11/h3-8,10,14,18H,2,9H2,1H3,(H,19,20)/t14-/m0/s1