3-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]-2-(1,3-dioxan-2-yl)benzenecarbonitrile

Systemtic Name: 3-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]-2-(1,3-dioxan-2-yl)benzenecarbonitrile Openeye Name: 3-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]-2-(1,3-dioxan-2-yl)benzonitrile CAS Name: 3-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]-2-(1,3-dioxan-2-yl)benzonitrile IUPAC Name: 3-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]-2-(1,3-dioxan-2-yl)benzonitrile Traditional Name: 3-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]-2-(1,3-dioxan-2-yl)benzonitrile Formula: C21H29NO4 MolecularWeight: 359.45926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)CCC2=CC=CC(=C2C3OCCCO3)C#N

Isomeric SMILES

CCCCC1COC(OC1)CCC2=CC=CC(=C2C3OCCCO3)C#N

InChI

InChI=1S/C21H29NO4/c1-2-3-6-16-14-25-19(26-15-16)10-9-17-7-4-8-18(13-22)20(17)21-23-11-5-12-24-21/h4,7-8,16,19,21H,2-3,5-6,9-12,14-15H2,1H3