4-(5-methyl-5-pentyl-1,3-dioxan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(5-methyl-5-pentyl-1,3-dioxan-2-yl)benzenecarbonitrile Openeye Name: 4-(5-methyl-5-pentyl-1,3-dioxan-2-yl)benzonitrile CAS Name: 4-(5-methyl-5-pentyl-1,3-dioxan-2-yl)benzonitrile IUPAC Name: 4-(5-methyl-5-pentyl-1,3-dioxan-2-yl)benzonitrile Traditional Name: 4-(5-amyl-5-methyl-1,3-dioxan-2-yl)benzonitrile Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(COC(OC1)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCCCCC1(COC(OC1)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C17H23NO2/c1-3-4-5-10-17(2)12-19-16(20-13-17)15-8-6-14(11-18)7-9-15/h6-9,16H,3-5,10,12-13H2,1-2H3