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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCOOC1)C2=CC=CC=C2C#N

Isomeric SMILES

CCCCCC1(CCOOC1)C2=CC=CC=C2C#N

InChI

InChI=1S/C16H21NO2/c1-2-3-6-9-16(10-11-18-19-13-16)15-8-5-4-7-14(15)12-17/h4-5,7-8H,2-3,6,9-11,13H2,1H3