4-[[4-(4-octoxyphenyl)phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-octoxyphenyl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-octoxyphenyl)phenoxy]methyl]benzonitrile CAS Name: 4-[[4-(4-octoxyphenyl)phenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-(4-octoxyphenyl)phenoxy]methyl]benzonitrile Traditional Name: 4-[[4-(4-octoxyphenyl)phenoxy]methyl]benzonitrile Formula: C28H31NO2 MolecularWeight: 413.55124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H31NO2/c1-2-3-4-5-6-7-20-30-27-16-12-25(13-17-27)26-14-18-28(19-15-26)31-22-24-10-8-23(21-29)9-11-24/h8-19H,2-7,20,22H2,1H3