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

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

Systemtic Name:4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid
Openeye Name:4-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoic acid
CAS Name:4-[2-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid
IUPAC Name:4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid
Traditional Name:4-[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=C(C=C3)C(=O)O


Isomeric SMILES

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


InChI

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


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