2-[2-[2,6-bis(oxidanyl)-4-pentyl-phenyl]-4-methyl-cyclohexen-1-yl]ethanenitrile

Systemtic Name: 2-[2-[2,6-bis(oxidanyl)-4-pentyl-phenyl]-4-methyl-cyclohexen-1-yl]ethanenitrile Openeye Name: 2-[2-(2,6-dihydroxy-4-pentyl-phenyl)-4-methyl-cyclohexen-1-yl]acetonitrile CAS Name: 2-[2-(2,6-dihydroxy-4-pentylphenyl)-4-methyl-1-cyclohexenyl]acetonitrile IUPAC Name: 2-[2-(2,6-dihydroxy-4-pentylphenyl)-4-methylcyclohexen-1-yl]acetonitrile Traditional Name: 2-[2-(4-amyl-2,6-dihydroxy-phenyl)-4-methyl-cyclohexen-1-yl]acetonitrile Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)O)C2=C(CCC(C2)C)CC#N)O

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)O)C2=C(CCC(C2)C)CC#N)O

InChI

InChI=1S/C20H27NO2/c1-3-4-5-6-15-12-18(22)20(19(23)13-15)17-11-14(2)7-8-16(17)9-10-21/h12-14,22-23H,3-9,11H2,1-2H3