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

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-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)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N5O4 MolecularWeight: 401.45948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4/c1-13(17(26)23-19(28)24-20(2,3)4)29-18(27)15-7-9-25(10-8-15)16-6-5-14(11-21)12-22-16/h5-6,12-13,15H,7-10H2,1-4H3,(H2,23,24,26,28)