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

Systemtic Name: 4-(5-methyl-5-propyl-1,3-dioxan-2-yl)benzenecarbonitrile Openeye Name: 4-(5-methyl-5-propyl-1,3-dioxan-2-yl)benzonitrile CAS Name: 4-(5-methyl-5-propyl-1,3-dioxan-2-yl)benzonitrile IUPAC Name: 4-(5-methyl-5-propyl-1,3-dioxan-2-yl)benzonitrile Traditional Name: 4-(5-methyl-5-propyl-1,3-dioxan-2-yl)benzonitrile Formula: C15H19NO2 MolecularWeight: 245.31686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(COC(OC1)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCCC1(COC(OC1)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C15H19NO2/c1-3-8-15(2)10-17-14(18-11-15)13-6-4-12(9-16)5-7-13/h4-7,14H,3,8,10-11H2,1-2H3