[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4/c1-19(2,3)23-18(27)22-16(25)12-28-17(26)14-6-8-24(9-7-14)15-5-4-13(10-20)11-21-15/h4-5,11,14H,6-9,12H2,1-3H3,(H2,22,23,25,27)