(E)-3-(4-butoxy-3,5-ditert-butyl-phenyl)but-2-enenitrile

Systemtic Name: (E)-3-(4-butoxy-3,5-ditert-butyl-phenyl)but-2-enenitrile Openeye Name: (E)-3-(4-butoxy-3,5-ditert-butyl-phenyl)but-2-enenitrile CAS Name: (E)-3-(4-butoxy-3,5-ditert-butylphenyl)-2-butenenitrile IUPAC Name: (E)-3-(4-butoxy-3,5-ditert-butylphenyl)but-2-enenitrile Traditional Name: (E)-3-(4-butoxy-3,5-ditert-butyl-phenyl)but-2-enenitrile Formula: C22H33NO MolecularWeight: 327.50352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C(C)(C)C)C(=CC#N)C)C(C)(C)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C(C)(C)C)/C(=C/C#N)/C)C(C)(C)C

InChI

InChI=1S/C22H33NO/c1-9-10-13-24-20-18(21(3,4)5)14-17(16(2)11-12-23)15-19(20)22(6,7)8/h11,14-15H,9-10,13H2,1-8H3/b16-11+