(2S,3R)-2-(pyridin-4-ylmethylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: (2S,3R)-2-(pyridin-4-ylmethylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate Openeye Name: (2S,3R)-2-(4-pyridylmethylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate CAS Name: (2S,3R)-2-[oxo-(pyridin-4-ylmethylamino)methyl]-3-bicyclo[2.2.2]octanecarboxylate IUPAC Name: (2S,3R)-2-(pyridin-4-ylmethylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate Traditional Name: (2S,3R)-2-(4-pyridylmethylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate Formula: C16H19N2O3- MolecularWeight: 287.33366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c19-15(18-9-10-5-7-17-8-6-10)13-11-1-3-12(4-2-11)14(13)16(20)21/h5-8,11-14H,1-4,9H2,(H,18,19)(H,20,21)/p-1/t11?,12?,13-,14+/m0/s1