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

Systemtic Name: 2-fluoranyl-3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Openeye Name: 2-fluoro-3-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoic acid CAS Name: 2-fluoro-3-[4-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid IUPAC Name: 2-fluoro-3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Traditional Name: 2-fluoro-3-[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(=C3F)C(=O)O

Isomeric SMILES

C1CN(CCC1NC2=NC=CC=N2)C3=CC=CC(=C3F)C(=O)O

InChI

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