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

Systemtic Name: (phenylmethyl) (1S,4R,5S)-5-(hydroxymethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: benzyl (1S,4R,5S)-5-(hydroxymethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: (1S,4R,5S)-5-(hydroxymethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,4R,5S)-5-(hydroxymethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: (1S,4R,5S)-5-methylol-3-azabicyclo[2.1.1]hexane-3-carboxylic acid benzyl ester Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C1C2CO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c16-8-12-11-6-13(12)15(7-11)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2/t11-,12+,13-/m1/s1