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

Systemtic Name: (1R,2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]cyclohexanecarboxylate Formula: C16H17N2O3- MolecularWeight: 285.31778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)[C@H]3CCCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C16H18N2O3/c1-10-6-2-3-7-11(10)14-17-15(21-18-14)12-8-4-5-9-13(12)16(19)20/h2-3,6-7,12-13H,4-5,8-9H2,1H3,(H,19,20)/p-1/t12-,13+/m0/s1