[(2S)-1-oxidanylidene-1-pyrrol-1-yl-propan-2-yl] 2-bromanylhexanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-pyrrol-1-yl-propan-2-yl] 2-bromanylhexanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-pyrrol-1-yl-ethyl] 2-bromohexanoate CAS Name: 2-bromohexanoic acid [(2S)-1-oxo-1-(1-pyrrolyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-pyrrol-1-ylpropan-2-yl] 2-bromohexanoate Traditional Name: 2-bromohexanoic acid [(1S)-2-keto-1-methyl-2-pyrrol-1-yl-ethyl] ester Formula: C13H18BrNO3 MolecularWeight: 316.19092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)C(=O)N1C=CC=C1)Br

Isomeric SMILES

CCCCC(C(=O)O[C@@H](C)C(=O)N1C=CC=C1)Br

InChI

InChI=1S/C13H18BrNO3/c1-3-4-7-11(14)13(17)18-10(2)12(16)15-8-5-6-9-15/h5-6,8-11H,3-4,7H2,1-2H3/t10-,11?/m0/s1