4-[(1R,3R,6S)-1,6-dimethyl-2-methylidene-3-[(E)-3-methyl-6-oxidanylidene-hex-2-enyl]cyclohexyl]butanenitrile

Systemtic Name: 4-[(1R,3R,6S)-1,6-dimethyl-2-methylidene-3-[(E)-3-methyl-6-oxidanylidene-hex-2-enyl]cyclohexyl]butanenitrile Openeye Name: 4-[(1R,3R,6S)-1,6-dimethyl-2-methylene-3-[(E)-3-methyl-6-oxo-hex-2-enyl]cyclohexyl]butanenitrile CAS Name: 4-[(1R,3R,6S)-1,6-dimethyl-2-methylene-3-[(E)-3-methyl-6-oxohex-2-enyl]cyclohexyl]butanenitrile IUPAC Name: 4-[(1R,3R,6S)-1,6-dimethyl-2-methylidene-3-[(E)-3-methyl-6-oxohex-2-enyl]cyclohexyl]butanenitrile Traditional Name: 4-[(1R,3R,6S)-3-[(E)-6-keto-3-methyl-hex-2-enyl]-1,6-dimethyl-2-methylene-cyclohexyl]butyronitrile Formula: C20H31NO MolecularWeight: 301.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CC[C@@H](C(=C)[C@]1(C)CCCC#N)C/C=C(\C)/CCC=O

InChI

InChI=1S/C20H31NO/c1-16(8-7-15-22)9-11-19-12-10-17(2)20(4,18(19)3)13-5-6-14-21/h9,15,17,19H,3,5-8,10-13H2,1-2,4H3/b16-9+/t17-,19-,20+/m0/s1