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

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-keto-2-(2-methoxyethylcarbamoylamino)ethyl] ester Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O5/c1-27-9-6-20-18(26)22-16(24)12-28-17(25)14-4-7-23(8-5-14)15-3-2-13(10-19)11-21-15/h2-3,11,14H,4-9,12H2,1H3,(H2,20,22,24,26)