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

Systemtic Name: 3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Openeye Name: 3-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoic acid CAS Name: 3-[4-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid IUPAC Name: 3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Traditional Name: 3-[4-(2-pyrimidylamino)piperidino]benzoic acid Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2/c21-15(22)12-3-1-4-14(11-12)20-9-5-13(6-10-20)19-16-17-7-2-8-18-16/h1-4,7-8,11,13H,5-6,9-10H2,(H,21,22)(H,17,18,19)