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

Systemtic Name: 3-chloranyl-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Openeye Name: 3-chloro-4-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoic acid CAS Name: 3-chloro-4-[2-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid IUPAC Name: 3-chloro-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Traditional Name: 3-chloro-4-[2-(2-pyrimidylamino)piperidino]benzoic acid Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O2/c17-12-10-11(15(22)23)5-6-13(12)21-9-2-1-4-14(21)20-16-18-7-3-8-19-16/h3,5-8,10,14H,1-2,4,9H2,(H,22,23)(H,18,19,20)