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

Systemtic Name: 3-[2-oxidanyl-2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Openeye Name: 3-[2-hydroxy-2-(pyrimidin-2-ylamino)-1-piperidyl]benzoic acid CAS Name: 3-[2-hydroxy-2-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid IUPAC Name: 3-[2-hydroxy-2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Traditional Name: 3-[2-hydroxy-2-(2-pyrimidylamino)piperidino]benzoic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c21-14(22)12-5-3-6-13(11-12)20-10-2-1-7-16(20,23)19-15-17-8-4-9-18-15/h3-6,8-9,11,23H,1-2,7,10H2,(H,21,22)(H,17,18,19)