methyl (1S,6S)-6-(1H-imidazol-5-yl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,6S)-6-(1H-imidazol-5-yl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,6S)-6-(1H-imidazol-5-yl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(1H-imidazol-5-yl)-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6S)-6-(1H-imidazol-5-yl)-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(1H-imidazol-5-yl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C2=CN=CN2)C(=O)OC)C

Isomeric SMILES

CC1=C(C[C@@H]([C@H](C1)C2=CN=CN2)C(=O)OC)C

InChI

InChI=1S/C13H18N2O2/c1-8-4-10(12-6-14-7-15-12)11(5-9(8)2)13(16)17-3/h6-7,10-11H,4-5H2,1-3H3,(H,14,15)/t10-,11-/m0/s1