(1S,6R)-6-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylate Formula: C16H15N2O3- MolecularWeight: 283.3019

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C2=NC(=NO2)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C2=NC(=NO2)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C16H16N2O3/c19-16(20)13-9-5-4-8-12(13)15-17-14(18-21-15)10-11-6-2-1-3-7-11/h1-7,12-13H,8-10H2,(H,19,20)/p-1/t12-,13+/m1/s1