[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-bromanylbutanoate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-bromanylbutanoate Openeye Name: [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-bromobutanoate CAS Name: 2-bromobutanoic acid [(1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-bromobutanoate Traditional Name: 2-bromobutyric acid [(1S)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C1=CC=CC=C1)C(=O)N2CCCC2)Br

Isomeric SMILES

CCC(C(=O)O[C@@H](C1=CC=CC=C1)C(=O)N2CCCC2)Br

InChI

InChI=1S/C16H20BrNO3/c1-2-13(17)16(20)21-14(12-8-4-3-5-9-12)15(19)18-10-6-7-11-18/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3/t13?,14-/m0/s1