[(2S)-1-(2,5-dihydropyrrol-1-yl)-1-oxidanylidene-propan-2-yl] 2-bromanylhexanoate

Systemtic Name: [(2S)-1-(2,5-dihydropyrrol-1-yl)-1-oxidanylidene-propan-2-yl] 2-bromanylhexanoate Openeye Name: [(1S)-2-(2,5-dihydropyrrol-1-yl)-1-methyl-2-oxo-ethyl] 2-bromohexanoate CAS Name: 2-bromohexanoic acid [(2S)-1-(2,5-dihydropyrrol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dihydropyrrol-1-yl)-1-oxopropan-2-yl] 2-bromohexanoate Traditional Name: 2-bromohexanoic acid [(1S)-2-keto-1-methyl-2-(3-pyrrolin-1-yl)ethyl] ester Formula: C13H20BrNO3 MolecularWeight: 318.2068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)C(=O)N1CC=CC1)Br

Isomeric SMILES

CCCCC(C(=O)O[C@@H](C)C(=O)N1CC=CC1)Br

InChI

InChI=1S/C13H20BrNO3/c1-3-4-7-11(14)13(17)18-10(2)12(16)15-8-5-6-9-15/h5-6,10-11H,3-4,7-9H2,1-2H3/t10-,11?/m0/s1