(1R,6S)-6-(pyridin-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-(pyridin-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-(4-pyridylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[oxo-(pyridin-4-ylamino)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-(pyridin-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-(4-pyridylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=NC=C2)C(=O)O

Isomeric SMILES

C1C=CC[C@H]([C@H]1C(=O)NC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C13H14N2O3/c16-12(15-9-5-7-14-8-6-9)10-3-1-2-4-11(10)13(17)18/h1-2,5-8,10-11H,3-4H2,(H,17,18)(H,14,15,16)/t10-,11+/m0/s1