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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O2/c17-13-10-11(15(22)23)2-3-14(13)21-8-4-12(5-9-21)20-16-18-6-1-7-19-16/h1-3,6-7,10,12H,4-5,8-9H2,(H,22,23)(H,18,19,20)