4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]-2-(trifluoromethyl)benzoic acid

Systemtic Name: 4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]-2-(trifluoromethyl)benzoic acid Openeye Name: 4-[2-(pyrimidin-2-ylamino)-1-piperidyl]-2-(trifluoromethyl)benzoic acid CAS Name: 4-[2-(2-pyrimidinylamino)-1-piperidinyl]-2-(trifluoromethyl)benzoic acid IUPAC Name: 4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]-2-(trifluoromethyl)benzoic acid Traditional Name: 4-[2-(2-pyrimidylamino)piperidino]-2-(trifluoromethyl)benzoic acid Formula: C17H17F3N4O2 MolecularWeight: 366.33769

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)NC2=NC=CC=N2)C3=CC(=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1CCN(C(C1)NC2=NC=CC=N2)C3=CC(=C(C=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O2/c18-17(19,20)13-10-11(5-6-12(13)15(25)26)24-9-2-1-4-14(24)23-16-21-7-3-8-22-16/h3,5-8,10,14H,1-2,4,9H2,(H,25,26)(H,21,22,23)