1-(3,4-dimethoxyphenyl)cycloheptane-1-carbonitrile

Systemtic Name: 1-(3,4-dimethoxyphenyl)cycloheptane-1-carbonitrile Openeye Name: 1-(3,4-dimethoxyphenyl)cycloheptanecarbonitrile CAS Name: 1-(3,4-dimethoxyphenyl)-1-cycloheptanecarbonitrile IUPAC Name: 1-(3,4-dimethoxyphenyl)cycloheptane-1-carbonitrile Traditional Name: 1-(3,4-dimethoxyphenyl)cycloheptanecarbonitrile Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCCCC2)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCCCC2)C#N)OC

InChI

InChI=1S/C16H21NO2/c1-18-14-8-7-13(11-15(14)19-2)16(12-17)9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3