(1S,4R,5S)-3-phenylmethoxycarbonyl-3-azabicyclo[2.1.1]hexane-5-carboxylic acid

Systemtic Name: (1S,4R,5S)-3-phenylmethoxycarbonyl-3-azabicyclo[2.1.1]hexane-5-carboxylic acid Openeye Name: (1S,4R,5S)-3-benzyloxycarbonyl-3-azabicyclo[2.1.1]hexane-5-carboxylic acid CAS Name: (1S,4R,5S)-3-phenylmethoxycarbonyl-3-azabicyclo[2.1.1]hexane-5-carboxylic acid IUPAC Name: (1S,4R,5S)-3-phenylmethoxycarbonyl-3-azabicyclo[2.1.1]hexane-5-carboxylic acid Traditional Name: (1S,4R,5S)-3-carbobenzoxy-3-azabicyclo[2.1.1]hexane-5-carboxylic acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C1C2C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4/c16-13(17)12-10-6-11(12)15(7-10)14(18)19-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,16,17)/t10-,11-,12+/m1/s1