2-[4-(cyanomethyl)-2,5-dioctoxy-phenyl]ethanenitrile

Systemtic Name: 2-[4-(cyanomethyl)-2,5-dioctoxy-phenyl]ethanenitrile Openeye Name: 2-[4-(cyanomethyl)-2,5-dioctoxy-phenyl]acetonitrile CAS Name: 2-[4-(cyanomethyl)-2,5-dioctoxyphenyl]acetonitrile IUPAC Name: 2-[4-(cyanomethyl)-2,5-dioctoxyphenyl]acetonitrile Traditional Name: 2-[4-(cyanomethyl)-2,5-dioctoxy-phenyl]acetonitrile Formula: C26H40N2O2 MolecularWeight: 412.608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1CC#N)OCCCCCCCC)CC#N

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1CC#N)OCCCCCCCC)CC#N

InChI

InChI=1S/C26H40N2O2/c1-3-5-7-9-11-13-19-29-25-21-24(16-18-28)26(22-23(25)15-17-27)30-20-14-12-10-8-6-4-2/h21-22H,3-16,19-20H2,1-2H3