ethyl 4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]-2-(trifluoromethyl)benzoate

Systemtic Name: ethyl 4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]-2-(trifluoromethyl)benzoate Openeye Name: ethyl 4-[2-(pyrimidin-2-ylamino)-1-piperidyl]-2-(trifluoromethyl)benzoate CAS Name: 4-[2-(2-pyrimidinylamino)-1-piperidinyl]-2-(trifluoromethyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]-2-(trifluoromethyl)benzoate Traditional Name: 4-[2-(2-pyrimidylamino)piperidino]-2-(trifluoromethyl)benzoic acid ethyl ester Formula: C19H21F3N4O2 MolecularWeight: 394.39085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)N2CCCCC2NC3=NC=CC=N3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)N2CCCCC2NC3=NC=CC=N3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O2/c1-2-28-17(27)14-8-7-13(12-15(14)19(20,21)22)26-11-4-3-6-16(26)25-18-23-9-5-10-24-18/h5,7-10,12,16H,2-4,6,11H2,1H3,(H,23,24,25)