methyl 3-[(1R,2S,3R,6R)-6-cyano-2-ethenyl-6-methanoyl-2,3-dimethyl-cyclohexyl]propanoate

Systemtic Name: methyl 3-[(1R,2S,3R,6R)-6-cyano-2-ethenyl-6-methanoyl-2,3-dimethyl-cyclohexyl]propanoate Openeye Name: methyl 3-[(1R,2S,3R,6R)-6-cyano-6-formyl-2,3-dimethyl-2-vinyl-cyclohexyl]propanoate CAS Name: 3-[(1R,2S,3R,6R)-6-cyano-2-ethenyl-6-formyl-2,3-dimethylcyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(1R,2S,3R,6R)-6-cyano-2-ethenyl-6-formyl-2,3-dimethylcyclohexyl]propanoate Traditional Name: 3-[(1R,2S,3R,6R)-6-cyano-6-formyl-2,3-dimethyl-2-vinyl-cyclohexyl]propionic acid methyl ester Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1(C)C=C)CCC(=O)OC)(C=O)C#N

Isomeric SMILES

C[C@@H]1CC[C@]([C@@H]([C@@]1(C)C=C)CCC(=O)OC)(C=O)C#N

InChI

InChI=1S/C16H23NO3/c1-5-15(3)12(2)8-9-16(10-17,11-18)13(15)6-7-14(19)20-4/h5,11-13H,1,6-9H2,2-4H3/t12-,13-,15+,16-/m1/s1