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

Systemtic Name: 3-[2-methoxy-2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Openeye Name: 3-[2-methoxy-2-(pyrimidin-2-ylamino)-1-piperidyl]benzoic acid CAS Name: 3-[2-methoxy-2-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid IUPAC Name: 3-[2-methoxy-2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Traditional Name: 3-[2-methoxy-2-(2-pyrimidylamino)piperidino]benzoic acid Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCCCN1C2=CC=CC(=C2)C(=O)O)NC3=NC=CC=N3

Isomeric SMILES

COC1(CCCCN1C2=CC=CC(=C2)C(=O)O)NC3=NC=CC=N3

InChI

InChI=1S/C17H20N4O3/c1-24-17(20-16-18-9-5-10-19-16)8-2-3-11-21(17)14-7-4-6-13(12-14)15(22)23/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,23)(H,18,19,20)