(phenylmethyl) 4-(cyanomethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(cyanomethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: benzyl 4-(cyanomethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: 4-(cyanomethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(cyanomethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: 4-(cyanomethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylic acid benzyl ester Formula: C15H16N2O2 MolecularWeight: 256.29974

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC1(N(C2)C(=O)OCC3=CC=CC=C3)CC#N

Isomeric SMILES

C1C2CC1(N(C2)C(=O)OCC3=CC=CC=C3)CC#N

InChI

InChI=1S/C15H16N2O2/c16-7-6-15-8-13(9-15)10-17(15)14(18)19-11-12-4-2-1-3-5-12/h1-5,13H,6,8-11H2