(2S,3R)-2-(pyridin-3-ylmethylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: (2S,3R)-2-(pyridin-3-ylmethylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate Openeye Name: (2S,3R)-2-(3-pyridylmethylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate CAS Name: (2S,3R)-2-[oxo-(3-pyridinylmethylamino)methyl]-3-bicyclo[2.2.2]octanecarboxylate IUPAC Name: (2S,3R)-2-(pyridin-3-ylmethylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate Traditional Name: (2S,3R)-2-(3-pyridylmethylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate Formula: C16H19N2O3- MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C(C2C(=O)[O-])C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CC2CCC1[C@@H]([C@@H]2C(=O)[O-])C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C16H20N2O3/c19-15(18-9-10-2-1-7-17-8-10)13-11-3-5-12(6-4-11)14(13)16(20)21/h1-2,7-8,11-14H,3-6,9H2,(H,18,19)(H,20,21)/p-1/t11?,12?,13-,14+/m0/s1