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

Systemtic Name: (1S,6R)-6-(pyridin-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-(4-pyridylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[oxo-(pyridin-4-ylmethylamino)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-(pyridin-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-(4-pyridylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCC2=CC=NC=C2)C(=O)O

Isomeric SMILES

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

InChI

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