tert-butyl (E)-2-cyano-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-2-enoate

Systemtic Name: tert-butyl (E)-2-cyano-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-2-enoate Openeye Name: tert-butyl (E)-2-cyano-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-2-enoate CAS Name: (E)-2-cyano-4-methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)-2-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-cyano-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-2-enoate Traditional Name: (E)-2-cyano-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-2-enoic acid tert-butyl ester Formula: C21H33NO2 MolecularWeight: 331.49222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CCC(C)C=C(C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CCC(C)/C=C(\C#N)/C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33NO2/c1-15(13-17(14-22)19(23)24-20(3,4)5)10-11-18-16(2)9-8-12-21(18,6)7/h13,15H,8-12H2,1-7H3/b17-13+