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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)[C@H]3CCCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C16H18N2O3/c1-10-6-8-11(9-7-10)14-17-15(21-18-14)12-4-2-3-5-13(12)16(19)20/h6-9,12-13H,2-5H2,1H3,(H,19,20)/p-1/t12-,13+/m0/s1