(phenylmethyl) (1S,4R,5R,6S)-5-bromanyl-6-oxidanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: (phenylmethyl) (1S,4R,5R,6S)-5-bromanyl-6-oxidanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: benzyl (1S,4R,5R,6S)-5-bromo-6-hydroxy-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: (1S,4R,5R,6S)-5-bromo-6-hydroxy-3-azabicyclo[2.1.1]hexane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,4R,5R,6S)-5-bromo-6-hydroxy-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: (1S,4R,5R,6S)-5-bromo-6-hydroxy-3-azabicyclo[2.1.1]hexane-3-carboxylic acid benzyl ester Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C2Br)N1C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

C1[C@H]2[C@@H]([C@H]([C@@H]2Br)N1C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C13H14BrNO3/c14-10-9-6-15(11(10)12(9)16)13(17)18-7-8-4-2-1-3-5-8/h1-5,9-12,16H,6-7H2/t9-,10-,11+,12+/m1/s1