(1S,2R)-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[3-(2-pyridylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[3-(2-pyridinylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[3-(2-pyridylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexanecarboxylate Formula: C15H16N3O3- MolecularWeight: 286.30584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC(=NO2)CC3=CC=CC=N3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C2=NC(=NO2)CC3=CC=CC=N3)C(=O)[O-]

InChI

InChI=1S/C15H17N3O3/c19-15(20)12-7-2-1-6-11(12)14-17-13(18-21-14)9-10-5-3-4-8-16-10/h3-5,8,11-12H,1-2,6-7,9H2,(H,19,20)/p-1/t11-,12+/m1/s1