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

Systemtic Name: 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile Openeye Name: 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile CAS Name: 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile IUPAC Name: 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile Traditional Name: 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butyronitrile Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CC2=CC=CC=C2CCCC#N)C

Isomeric SMILES

CC1(OCC(CO1)CC2=CC=CC=C2CCCC#N)C

InChI

InChI=1S/C17H23NO2/c1-17(2)19-12-14(13-20-17)11-16-9-4-3-7-15(16)8-5-6-10-18/h3-4,7,9,14H,5-6,8,11-13H2,1-2H3