3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-5-(trifluoromethyl)benzoic acid Openeye Name: 3-[4-(pyrimidin-2-ylamino)-1-piperidyl]-5-(trifluoromethyl)benzoic acid CAS Name: 3-[4-(2-pyrimidinylamino)-1-piperidinyl]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-5-(trifluoromethyl)benzoic acid Traditional Name: 3-[4-(2-pyrimidylamino)piperidino]-5-(trifluoromethyl)benzoic acid Formula: C17H17F3N4O2 MolecularWeight: 366.33769

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC=CC=N2)C3=CC(=CC(=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CN(CCC1NC2=NC=CC=N2)C3=CC(=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H17F3N4O2/c18-17(19,20)12-8-11(15(25)26)9-14(10-12)24-6-2-13(3-7-24)23-16-21-4-1-5-22-16/h1,4-5,8-10,13H,2-3,6-7H2,(H,25,26)(H,21,22,23)