ethyl (1R,4S,5R,6S)-5-bromanyl-4-methyl-6-oxidanyl-2-azabicyclo[2.1.1]hexane-2-carboxylate

Systemtic Name: ethyl (1R,4S,5R,6S)-5-bromanyl-4-methyl-6-oxidanyl-2-azabicyclo[2.1.1]hexane-2-carboxylate Openeye Name: ethyl (1R,4S,5R,6S)-5-bromo-6-hydroxy-4-methyl-2-azabicyclo[2.1.1]hexane-2-carboxylate CAS Name: (1R,4S,5R,6S)-5-bromo-6-hydroxy-4-methyl-2-azabicyclo[2.1.1]hexane-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,4S,5R,6S)-5-bromo-6-hydroxy-4-methyl-2-azabicyclo[2.1.1]hexane-2-carboxylate Traditional Name: (1R,4S,5R,6S)-5-bromo-6-hydroxy-4-methyl-2-azabicyclo[2.1.1]hexane-2-carboxylic acid ethyl ester Formula: C9H14BrNO3 MolecularWeight: 264.11636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2(C(C1C2Br)O)C

Isomeric SMILES

CCOC(=O)N1C[C@]2([C@@H]([C@@H]1[C@@H]2Br)O)C

InChI

InChI=1S/C9H14BrNO3/c1-3-14-8(13)11-4-9(2)6(10)5(11)7(9)12/h5-7,12H,3-4H2,1-2H3/t5-,6-,7+,9+/m0/s1