(1S,6R)-6-(pyridin-3-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-(pyridin-3-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(3-pyridylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[oxo-(3-pyridinylmethylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(pyridin-3-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(3-pyridylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C14H15N2O3- MolecularWeight: 259.2805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCC2=CN=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NCC2=CN=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H16N2O3/c17-13(16-9-10-4-3-7-15-8-10)11-5-1-2-6-12(11)14(18)19/h1-4,7-8,11-12H,5-6,9H2,(H,16,17)(H,18,19)/p-1/t11-,12+/m1/s1