ethyl 1-(2-chloranylpyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-chloranylpyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(2-chloro-4-pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(2-chloropyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C12H16ClN3O2 MolecularWeight: 269.72734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=NC=C2)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=NC=C2)Cl

InChI

InChI=1S/C12H16ClN3O2/c1-2-18-11(17)9-4-7-16(8-5-9)10-3-6-14-12(13)15-10/h3,6,9H,2,4-5,7-8H2,1H3