(1S,6S)-6-[(R)-(1-methylpyrazol-4-yl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(R)-(1-methylpyrazol-4-yl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(R)-hydroxy-(1-methylpyrazol-4-yl)methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(R)-hydroxy-(1-methyl-4-pyrazolyl)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(R)-hydroxy-(1-methylpyrazol-4-yl)methyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(R)-hydroxy-(1-methylpyrazol-4-yl)methyl]cyclohex-3-ene-1-carboxylate Formula: C12H15N2O3- MolecularWeight: 235.2591

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(C2CC=CCC2C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-14-7-8(6-13-14)11(15)9-4-2-3-5-10(9)12(16)17/h2-3,6-7,9-11,15H,4-5H2,1H3,(H,16,17)/p-1/t9-,10-,11-/m0/s1