[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3/c1-13(17(24)22-19(2,3)4)26-18(25)15-7-9-23(10-8-15)16-6-5-14(11-20)12-21-16/h5-6,12-13,15H,7-10H2,1-4H3,(H,22,24)