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

Systemtic Name: 3-fluoranyl-5-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Openeye Name: 3-fluoro-5-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoic acid CAS Name: 3-fluoro-5-[4-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid IUPAC Name: 3-fluoro-5-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Traditional Name: 3-fluoro-5-[4-(2-pyrimidylamino)piperidino]benzoic acid Formula: C16H17FN4O2 MolecularWeight: 316.330183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN4O2/c17-12-8-11(15(22)23)9-14(10-12)21-6-2-13(3-7-21)20-16-18-4-1-5-19-16/h1,4-5,8-10,13H,2-3,6-7H2,(H,22,23)(H,18,19,20)