(E)-3-[2-heptoxy-3,5-di(propan-2-yl)phenyl]but-2-enenitrile

Systemtic Name: (E)-3-[2-heptoxy-3,5-di(propan-2-yl)phenyl]but-2-enenitrile Openeye Name: (E)-3-(2-heptoxy-3,5-diisopropyl-phenyl)but-2-enenitrile CAS Name: (E)-3-[2-heptoxy-3,5-di(propan-2-yl)phenyl]-2-butenenitrile IUPAC Name: (E)-3-[2-heptoxy-3,5-di(propan-2-yl)phenyl]but-2-enenitrile Traditional Name: (E)-3-(2-heptoxy-3,5-diisopropyl-phenyl)but-2-enenitrile Formula: C23H35NO MolecularWeight: 341.5301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1C(=CC#N)C)C(C)C)C(C)C

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1/C(=C/C#N)/C)C(C)C)C(C)C

InChI

InChI=1S/C23H35NO/c1-7-8-9-10-11-14-25-23-21(18(4)5)15-20(17(2)3)16-22(23)19(6)12-13-24/h12,15-18H,7-11,14H2,1-6H3/b19-12+