2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydrochromene-4-carbonitrile

Systemtic Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydrochromene-4-carbonitrile Openeye Name: 5-benzyloxy-7-(1,1-dimethylheptyl)-2,2-dimethyl-chromane-4-carbonitrile CAS Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-carbonitrile IUPAC Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydrochromene-4-carbonitrile Traditional Name: 5-benzoxy-7-(1,1-dimethylheptyl)-2,2-dimethyl-chroman-4-carbonitrile Formula: C28H37NO2 MolecularWeight: 419.59888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO2/c1-6-7-8-12-15-27(2,3)23-16-24(30-20-21-13-10-9-11-14-21)26-22(19-29)18-28(4,5)31-25(26)17-23/h9-11,13-14,16-17,22H,6-8,12,15,18,20H2,1-5H3