[(3S)-4,4-dimethyl-2-oxidanylidene-1-phenyl-pyrrolidin-3-yl] (2R)-2-bromanyl-2-phenyl-ethanoate

Systemtic Name: [(3S)-4,4-dimethyl-2-oxidanylidene-1-phenyl-pyrrolidin-3-yl] (2R)-2-bromanyl-2-phenyl-ethanoate Openeye Name: [(3S)-4,4-dimethyl-2-oxo-1-phenyl-pyrrolidin-3-yl] (2R)-2-bromo-2-phenyl-acetate CAS Name: (2R)-2-bromo-2-phenylacetic acid [(3S)-4,4-dimethyl-2-oxo-1-phenyl-3-pyrrolidinyl] ester IUPAC Name: [(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl] (2R)-2-bromo-2-phenylacetate Traditional Name: (2R)-2-bromo-2-phenyl-acetic acid [(3S)-2-keto-4,4-dimethyl-1-phenyl-pyrrolidin-3-yl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)C1OC(=O)C(C2=CC=CC=C2)Br)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CN(C(=O)[C@H]1OC(=O)[C@@H](C2=CC=CC=C2)Br)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20BrNO3/c1-20(2)13-22(15-11-7-4-8-12-15)18(23)17(20)25-19(24)16(21)14-9-5-3-6-10-14/h3-12,16-17H,13H2,1-2H3/t16-,17-/m1/s1