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

Systemtic Name: methyl (1S,4S,5R)-2-ethyl-3-methyl-4-oxidanyl-bicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: methyl (1S,4S,5R)-2-ethyl-4-hydroxy-3-methyl-bicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4S,5R)-2-ethyl-4-hydroxy-3-methyl-5-bicyclo[2.2.2]oct-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4S,5R)-2-ethyl-4-hydroxy-3-methylbicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4S,5R)-2-ethyl-4-hydroxy-3-methyl-bicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2(CCC1CC2C(=O)OC)O)C

Isomeric SMILES

CCC1=C([C@@]2(CC[C@H]1C[C@H]2C(=O)OC)O)C

InChI

InChI=1S/C13H20O3/c1-4-10-8(2)13(15)6-5-9(10)7-11(13)12(14)16-3/h9,11,15H,4-7H2,1-3H3/t9-,11-,13+/m0/s1