2-(3,4-dimethoxyphenyl)-2-(1-oxidanylcyclohexyl)ethanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-(1-oxidanylcyclohexyl)ethanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-(1-hydroxycyclohexyl)acetonitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-(1-hydroxycyclohexyl)acetonitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-(1-hydroxycyclohexyl)acetonitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-(1-hydroxycyclohexyl)acetonitrile Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)C2(CCCCC2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)C2(CCCCC2)O)OC

InChI

InChI=1S/C16H21NO3/c1-19-14-7-6-12(10-15(14)20-2)13(11-17)16(18)8-4-3-5-9-16/h6-7,10,13,18H,3-5,8-9H2,1-2H3