(phenylmethyl) (1R,4R,5R)-5-bromanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: (phenylmethyl) (1R,4R,5R)-5-bromanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: benzyl (1R,4R,5R)-5-bromo-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: (1R,4R,5R)-5-bromo-3-azabicyclo[2.1.1]hexane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1R,4R,5R)-5-bromo-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: (1R,4R,5R)-5-bromo-3-azabicyclo[2.1.1]hexane-3-carboxylic acid benzyl ester Formula: C13H14BrNO2 MolecularWeight: 296.15976

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C1C2Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1[C@@H]2CN([C@H]1[C@@H]2Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C13H14BrNO2/c14-12-10-6-11(12)15(7-10)13(16)17-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-,12-/m1/s1