[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NCC=C)OC(=O)C1CCN(CC1)C2=NC=C(C=C2)C(=O)N

InChI

InChI=1S/C18H24N4O4/c1-3-8-20-17(24)12(2)26-18(25)13-6-9-22(10-7-13)15-5-4-14(11-21-15)16(19)23/h3-5,11-13H,1,6-10H2,2H3,(H2,19,23)(H,20,24)/t12-/m0/s1