4-[2-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]butanenitrile

Systemtic Name: 4-[2-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]butanenitrile Openeye Name: 4-[2-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]butanenitrile CAS Name: 4-[2-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]butanenitrile IUPAC Name: 4-[2-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]butanenitrile Traditional Name: 4-[2-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]butyronitrile Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=CC=CC=C2CCCC#N)C

Isomeric SMILES

CC1(COC(OC1)C2=CC=CC=C2CCCC#N)C

InChI

InChI=1S/C16H21NO2/c1-16(2)11-18-15(19-12-16)14-9-4-3-7-13(14)8-5-6-10-17/h3-4,7,9,15H,5-6,8,11-12H2,1-2H3