methyl (1S,4R,5S)-5-ethanoyl-3,4-dimethyl-bicyclo[2.2.2]oct-2-ene-2-carboxylate

Systemtic Name: methyl (1S,4R,5S)-5-ethanoyl-3,4-dimethyl-bicyclo[2.2.2]oct-2-ene-2-carboxylate Openeye Name: methyl (1S,4R,5S)-5-acetyl-3,4-dimethyl-bicyclo[2.2.2]oct-2-ene-2-carboxylate CAS Name: (1S,4R,5S)-5-acetyl-3,4-dimethyl-2-bicyclo[2.2.2]oct-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4R,5S)-5-acetyl-3,4-dimethylbicyclo[2.2.2]oct-2-ene-2-carboxylate Traditional Name: (1S,4R,5S)-5-acetyl-3,4-dimethyl-bicyclo[2.2.2]oct-2-ene-2-carboxylic acid methyl ester Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2CCC1(C(C2)C(=O)C)C)C(=O)OC

Isomeric SMILES

CC1=C([C@H]2CC[C@@]1([C@H](C2)C(=O)C)C)C(=O)OC

InChI

InChI=1S/C14H20O3/c1-8-12(13(16)17-4)10-5-6-14(8,3)11(7-10)9(2)15/h10-11H,5-7H2,1-4H3/t10-,11+,14-/m0/s1