2-[1-[2-(hydroxymethyl)-4,5-dimethoxy-phenyl]-4-methoxy-cyclohexyl]ethanenitrile

Systemtic Name: 2-[1-[2-(hydroxymethyl)-4,5-dimethoxy-phenyl]-4-methoxy-cyclohexyl]ethanenitrile Openeye Name: 2-[1-[2-(hydroxymethyl)-4,5-dimethoxy-phenyl]-4-methoxy-cyclohexyl]acetonitrile CAS Name: 2-[1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]-4-methoxycyclohexyl]acetonitrile IUPAC Name: 2-[1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]-4-methoxycyclohexyl]acetonitrile Traditional Name: 2-[1-(4,5-dimethoxy-2-methylol-phenyl)-4-methoxy-cyclohexyl]acetonitrile Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CO[C]1[CH]CC([CH][CH]1)(CC#N)C2=CC(=C(C=C2CO)OC)OC

Isomeric SMILES

CO[C]1[CH]CC([CH][CH]1)(CC#N)C2=CC(=C(C=C2CO)OC)OC

InChI

InChI=1S/C18H21NO4/c1-21-14-4-6-18(7-5-14,8-9-19)15-11-17(23-3)16(22-2)10-13(15)12-20/h4-6,10-11,20H,7-8,12H2,1-3H3