ethyl (5R)-5-[[(1-pyrimidin-2-ylpiperidin-4-yl)carbonylamino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl (5R)-5-[[(1-pyrimidin-2-ylpiperidin-4-yl)carbonylamino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate Openeye Name: ethyl (5R)-5-[[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]methyl]-4,5-dihydroisoxazole-3-carboxylate CAS Name: (5R)-5-[[[oxo-[1-(2-pyrimidinyl)-4-piperidinyl]methyl]amino]methyl]-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5R)-5-[[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate Traditional Name: (5R)-5-[[[1-(2-pyrimidyl)isonipecotoyl]amino]methyl]-2-isoxazoline-3-carboxylic acid ethyl ester Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(C1)CNC(=O)C2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=NO[C@H](C1)CNC(=O)C2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H23N5O4/c1-2-25-16(24)14-10-13(26-21-14)11-20-15(23)12-4-8-22(9-5-12)17-18-6-3-7-19-17/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,20,23)/t13-/m1/s1