(1S,2S)-2-[(R)-(1-methylpyrazol-4-yl)-oxidanyl-methyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(R)-(1-methylpyrazol-4-yl)-oxidanyl-methyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(R)-hydroxy-(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(R)-hydroxy-(1-methyl-4-pyrazolyl)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(R)-hydroxy-(1-methylpyrazol-4-yl)methyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(R)-hydroxy-(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxylate Formula: C12H17N2O3- MolecularWeight: 237.27498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(C2CCCCC2C(=O)[O-])O

Isomeric SMILES

CN1C=C(C=N1)[C@@H]([C@H]2CCCC[C@@H]2C(=O)[O-])O

InChI

InChI=1S/C12H18N2O3/c1-14-7-8(6-13-14)11(15)9-4-2-3-5-10(9)12(16)17/h6-7,9-11,15H,2-5H2,1H3,(H,16,17)/p-1/t9-,10-,11-/m0/s1