4-phenylmethoxycarbonyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid

Systemtic Name: 4-phenylmethoxycarbonyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid CAS Name: 4-phenylmethoxycarbonyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid IUPAC Name: 4-phenylmethoxycarbonyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid Traditional Name: 4-carbobenzoxy-3-azabicyclo[2.2.2]octane-2-carboxylic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C(N2)C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC2(CCC1C(N2)C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H19NO4/c18-14(19)13-12-6-8-16(17-13,9-7-12)15(20)21-10-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H,18,19)