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

Systemtic Name: 4-(4-propyl-1,3-dioxan-2-yl)benzenecarbonitrile Openeye Name: 4-(4-propyl-1,3-dioxan-2-yl)benzonitrile CAS Name: 4-(4-propyl-1,3-dioxan-2-yl)benzonitrile IUPAC Name: 4-(4-propyl-1,3-dioxan-2-yl)benzonitrile Traditional Name: 4-(4-propyl-1,3-dioxan-2-yl)benzonitrile Formula: C14H17NO2 MolecularWeight: 231.29028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCOC(O1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC1CCOC(O1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H17NO2/c1-2-3-13-8-9-16-14(17-13)12-6-4-11(10-15)5-7-12/h4-7,13-14H,2-3,8-9H2,1H3