(phenylmethyl) 4-(imidazol-1-ylmethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(imidazol-1-ylmethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: benzyl 4-(imidazol-1-ylmethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: 4-(1-imidazolylmethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(imidazol-1-ylmethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: 4-(imidazol-1-ylmethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylic acid benzyl ester Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC1(N(C2)C(=O)OCC3=CC=CC=C3)CN4C=CN=C4

Isomeric SMILES

C1C2CC1(N(C2)C(=O)OCC3=CC=CC=C3)CN4C=CN=C4

InChI

InChI=1S/C17H19N3O2/c21-16(22-11-14-4-2-1-3-5-14)20-10-15-8-17(20,9-15)12-19-7-6-18-13-19/h1-7,13,15H,8-12H2