methyl 2-azanyl-2-[1-pyrimidin-4-yl-2-(trifluoromethyl)piperidin-4-yl]ethanoate

Systemtic Name: methyl 2-azanyl-2-[1-pyrimidin-4-yl-2-(trifluoromethyl)piperidin-4-yl]ethanoate Openeye Name: methyl 2-amino-2-[1-pyrimidin-4-yl-2-(trifluoromethyl)-4-piperidyl]acetate CAS Name: 2-amino-2-[1-(4-pyrimidinyl)-2-(trifluoromethyl)-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-amino-2-[1-pyrimidin-4-yl-2-(trifluoromethyl)piperidin-4-yl]acetate Traditional Name: 2-amino-2-[1-(4-pyrimidyl)-2-(trifluoromethyl)-4-piperidyl]acetic acid methyl ester Formula: C13H17F3N4O2 MolecularWeight: 318.29489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCN(C(C1)C(F)(F)F)C2=NC=NC=C2)N

Isomeric SMILES

COC(=O)C(C1CCN(C(C1)C(F)(F)F)C2=NC=NC=C2)N

InChI

InChI=1S/C13H17F3N4O2/c1-22-12(21)11(17)8-3-5-20(9(6-8)13(14,15)16)10-2-4-18-7-19-10/h2,4,7-9,11H,3,5-6,17H2,1H3