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

Systemtic Name: 2-[2,2-dimethyl-7-(2-methyloctan-2-yl)-4-oxidanyl-5-phenylmethoxy-3H-chromen-4-yl]ethanenitrile Openeye Name: 2-[5-benzyloxy-7-(1,1-dimethylheptyl)-4-hydroxy-2,2-dimethyl-chroman-4-yl]acetonitrile CAS Name: 2-[4-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-yl]acetonitrile IUPAC Name: 2-[4-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3H-chromen-4-yl]acetonitrile Traditional Name: 2-[5-benzoxy-7-(1,1-dimethylheptyl)-4-hydroxy-2,2-dimethyl-chroman-4-yl]acetonitrile Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(=C1)OCC3=CC=CC=C3)C(CC(O2)(C)C)(CC#N)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(=C1)OCC3=CC=CC=C3)C(CC(O2)(C)C)(CC#N)O

InChI

InChI=1S/C29H39NO3/c1-6-7-8-12-15-27(2,3)23-18-24(32-20-22-13-10-9-11-14-22)26-25(19-23)33-28(4,5)21-29(26,31)16-17-30/h9-11,13-14,18-19,31H,6-8,12,15-16,20-21H2,1-5H3