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

Systemtic Name: 3-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Openeye Name: 3-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoic acid CAS Name: 3-[2-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid IUPAC Name: 3-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Traditional Name: 3-[2-(2-pyrimidylamino)piperidino]benzoic acid Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2/c21-15(22)12-5-3-6-13(11-12)20-10-2-1-7-14(20)19-16-17-8-4-9-18-16/h3-6,8-9,11,14H,1-2,7,10H2,(H,21,22)(H,17,18,19)