2-[2,2-dimethyl-7-(2-methyloctan-2-yl)-5-oxidanyl-3,4-dihydrochromen-4-yl]ethanenitrile

Systemtic Name: 2-[2,2-dimethyl-7-(2-methyloctan-2-yl)-5-oxidanyl-3,4-dihydrochromen-4-yl]ethanenitrile Openeye Name: 2-[7-(1,1-dimethylheptyl)-5-hydroxy-2,2-dimethyl-chroman-4-yl]acetonitrile CAS Name: 2-[5-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]acetonitrile IUPAC Name: 2-[5-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromen-4-yl]acetonitrile Traditional Name: 2-[7-(1,1-dimethylheptyl)-5-hydroxy-2,2-dimethyl-chroman-4-yl]acetonitrile Formula: C22H33NO2 MolecularWeight: 343.50292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)CC#N)C(=C1)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)CC#N)C(=C1)O

InChI

InChI=1S/C22H33NO2/c1-6-7-8-9-11-21(2,3)17-13-18(24)20-16(10-12-23)15-22(4,5)25-19(20)14-17/h13-14,16,24H,6-11,15H2,1-5H3