methyl 3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-5-(trifluoromethyl)benzoate

Systemtic Name: methyl 3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-5-(trifluoromethyl)benzoate Openeye Name: methyl 3-[4-(pyrimidin-2-ylamino)-1-piperidyl]-5-(trifluoromethyl)benzoate CAS Name: 3-[4-(2-pyrimidinylamino)-1-piperidinyl]-5-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-5-(trifluoromethyl)benzoate Traditional Name: 3-[4-(2-pyrimidylamino)piperidino]-5-(trifluoromethyl)benzoic acid methyl ester Formula: C18H19F3N4O2 MolecularWeight: 380.36427

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)N2CCC(CC2)NC3=NC=CC=N3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)N2CCC(CC2)NC3=NC=CC=N3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O2/c1-27-16(26)12-9-13(18(19,20)21)11-15(10-12)25-7-3-14(4-8-25)24-17-22-5-2-6-23-17/h2,5-6,9-11,14H,3-4,7-8H2,1H3,(H,22,23,24)