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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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