(1R,6R)-3,4-dimethyl-6-(pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-3,4-dimethyl-6-(pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-3,4-dimethyl-6-(2-pyridylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-3,4-dimethyl-6-[oxo-(2-pyridinylmethylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-3,4-dimethyl-6-(pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-3,4-dimethyl-6-(2-pyridylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C16H19N2O3- MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCC2=CC=CC=N2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@@H](C1)C(=O)NCC2=CC=CC=N2)C(=O)[O-])C

InChI

InChI=1S/C16H20N2O3/c1-10-7-13(14(16(20)21)8-11(10)2)15(19)18-9-12-5-3-4-6-17-12/h3-6,13-14H,7-9H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-,14-/m1/s1