4-(4-pentyl-1,3-dioxan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(4-pentyl-1,3-dioxan-2-yl)benzenecarbonitrile Openeye Name: 4-(4-pentyl-1,3-dioxan-2-yl)benzonitrile CAS Name: 4-(4-pentyl-1,3-dioxan-2-yl)benzonitrile IUPAC Name: 4-(4-pentyl-1,3-dioxan-2-yl)benzonitrile Traditional Name: 4-(4-amyl-1,3-dioxan-2-yl)benzonitrile Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCOC(O1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC1CCOC(O1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H21NO2/c1-2-3-4-5-15-10-11-18-16(19-15)14-8-6-13(12-17)7-9-14/h6-9,15-16H,2-5,10-11H2,1H3