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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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