4-[(1S,4S)-1-ethenyl-4-methoxy-3,3-dimethyl-cyclohexyl]benzenecarbonitrile

Systemtic Name: 4-[(1S,4S)-1-ethenyl-4-methoxy-3,3-dimethyl-cyclohexyl]benzenecarbonitrile Openeye Name: 4-[(1S,4S)-4-methoxy-3,3-dimethyl-1-vinyl-cyclohexyl]benzonitrile CAS Name: 4-[(1S,4S)-1-ethenyl-4-methoxy-3,3-dimethylcyclohexyl]benzonitrile IUPAC Name: 4-[(1S,4S)-1-ethenyl-4-methoxy-3,3-dimethylcyclohexyl]benzonitrile Traditional Name: 4-[(1S,4S)-4-methoxy-3,3-dimethyl-1-vinyl-cyclohexyl]benzonitrile Formula: C18H23NO MolecularWeight: 269.38132

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCC1OC)(C=C)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1(C[C@@](CC[C@@H]1OC)(C=C)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C18H23NO/c1-5-18(15-8-6-14(12-19)7-9-15)11-10-16(20-4)17(2,3)13-18/h5-9,16H,1,10-11,13H2,2-4H3/t16-,18-/m0/s1