2-[(1S,4E,8S)-1-(3,4-dimethoxyphenyl)-4,8-dimethyl-10-oxidanylidene-cyclodec-4-en-1-yl]ethanenitrile

Systemtic Name: 2-[(1S,4E,8S)-1-(3,4-dimethoxyphenyl)-4,8-dimethyl-10-oxidanylidene-cyclodec-4-en-1-yl]ethanenitrile Openeye Name: 2-[(1S,4E,8S)-1-(3,4-dimethoxyphenyl)-4,8-dimethyl-10-oxo-cyclodec-4-en-1-yl]acetonitrile CAS Name: 2-[(1S,4E,8S)-1-(3,4-dimethoxyphenyl)-4,8-dimethyl-10-oxo-1-cyclodec-4-enyl]acetonitrile IUPAC Name: 2-[(1S,4E,8S)-1-(3,4-dimethoxyphenyl)-4,8-dimethyl-10-oxocyclodec-4-en-1-yl]acetonitrile Traditional Name: 2-[(1S,4E,8S)-1-(3,4-dimethoxyphenyl)-10-keto-4,8-dimethyl-cyclodec-4-en-1-yl]acetonitrile Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC=C(CCC(C(=O)C1)(CC#N)C2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

C[C@H]1CC/C=C(/CC[C@](C(=O)C1)(CC#N)C2=CC(=C(C=C2)OC)OC)\C

InChI

InChI=1S/C22H29NO3/c1-16-6-5-7-17(2)14-21(24)22(11-10-16,12-13-23)18-8-9-19(25-3)20(15-18)26-4/h6,8-9,15,17H,5,7,10-12,14H2,1-4H3/b16-6+/t17-,22-/m0/s1