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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(ON1)CNC(=O)C2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC(ON1)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/h3,6-7,10,12-13,21H,2,4-5,8-9,11H2,1H3,(H,20,23)