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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC1COC(OC1C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H23NO2/c1-3-4-5-6-16-12-19-17(20-13(16)2)15-9-7-14(11-18)8-10-15/h7-10,13,16-17H,3-6,12H2,1-2H3