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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C#N)C2OCCCO2

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C#N)C2OCCCO2

InChI

InChI=1S/C16H21NO2/c1-2-3-4-6-13-7-8-14(12-17)15(11-13)16-18-9-5-10-19-16/h7-8,11,16H,2-6,9-10H2,1H3