(3,3-dimethyl-2-oxidanylidene-butyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)C2=NC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)C2=NC=C(C=C2)C#N

InChI

InChI=1S/C18H23N3O3/c1-18(2,3)15(22)12-24-17(23)14-6-8-21(9-7-14)16-5-4-13(10-19)11-20-16/h4-5,11,14H,6-9,12H2,1-3H3