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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=C(C=C2)C(=O)O)NC3=NC=CC=N3

Isomeric SMILES

C1CC(CN(C1)C2=CC=C(C=C2)C(=O)O)NC3=NC=CC=N3

InChI

InChI=1S/C16H18N4O2/c21-15(22)12-4-6-14(7-5-12)20-10-1-3-13(11-20)19-16-17-8-2-9-18-16/h2,4-9,13H,1,3,10-11H2,(H,21,22)(H,17,18,19)