4-[4-(5-pentyl-1,4-dioxan-2-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-pentyl-1,4-dioxan-2-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(5-pentyl-1,4-dioxan-2-yl)phenyl]benzonitrile CAS Name: 4-[4-(5-pentyl-1,4-dioxan-2-yl)phenyl]benzonitrile IUPAC Name: 4-[4-(5-pentyl-1,4-dioxan-2-yl)phenyl]benzonitrile Traditional Name: 4-[4-(5-amyl-1,4-dioxan-2-yl)phenyl]benzonitrile Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1COC(CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25NO2/c1-2-3-4-5-21-15-25-22(16-24-21)20-12-10-19(11-13-20)18-8-6-17(14-23)7-9-18/h6-13,21-22H,2-5,15-16H2,1H3