[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-2-cyano-2-(3-methylbutyl)-5-oxidanylidene-hex-3-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-2-cyano-2-(3-methylbutyl)-5-oxidanylidene-hex-3-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (E)-2-cyano-2-isopentyl-5-oxo-hex-3-enoate CAS Name: (E)-2-cyano-2-(3-methylbutyl)-5-oxo-3-hexenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (E)-2-cyano-2-(3-methylbutyl)-5-oxohex-3-enoate Traditional Name: (E)-2-cyano-2-isoamyl-5-keto-hex-3-enoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H35NO3 MolecularWeight: 361.5182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(CCC(C)C)(/C=C/C(=O)C)C#N)C(C)C

InChI

InChI=1S/C22H35NO3/c1-15(2)9-11-22(14-23,12-10-18(6)24)21(25)26-20-13-17(5)7-8-19(20)16(3)4/h10,12,15-17,19-20H,7-9,11,13H2,1-6H3/b12-10+/t17-,19+,20-,22?/m1/s1