3-(5-cyano-1-cyclohexyl-2,4-dimethyl-6-oxidanylidene-pyridin-3-yl)propanoic acid

Systemtic Name: 3-(5-cyano-1-cyclohexyl-2,4-dimethyl-6-oxidanylidene-pyridin-3-yl)propanoic acid Openeye Name: 3-(5-cyano-1-cyclohexyl-2,4-dimethyl-6-oxo-3-pyridyl)propanoic acid CAS Name: 3-(5-cyano-1-cyclohexyl-2,4-dimethyl-6-oxo-3-pyridinyl)propanoic acid IUPAC Name: 3-(5-cyano-1-cyclohexyl-2,4-dimethyl-6-oxopyridin-3-yl)propanoic acid Traditional Name: 3-(5-cyano-1-cyclohexyl-6-keto-2,4-dimethyl-3-pyridyl)propionic acid Formula: C17H22N2O3 MolecularWeight: 302.36818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1CCC(=O)O)C)C2CCCCC2)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1CCC(=O)O)C)C2CCCCC2)C#N

InChI

InChI=1S/C17H22N2O3/c1-11-14(8-9-16(20)21)12(2)19(17(22)15(11)10-18)13-6-4-3-5-7-13/h13H,3-9H2,1-2H3,(H,20,21)