[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O4/c1-3-15(4-2)22-17(24)12-27-19(26)13-7-9-23(10-8-13)16-6-5-14(11-21-16)18(20)25/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3,(H2,20,25)(H,22,24)