4-[4-(5,5-dimethyl-1,3-dioxan-2-yl)butanoyl]benzenecarbonitrile

Systemtic Name: 4-[4-(5,5-dimethyl-1,3-dioxan-2-yl)butanoyl]benzenecarbonitrile Openeye Name: 4-[4-(5,5-dimethyl-1,3-dioxan-2-yl)butanoyl]benzonitrile CAS Name: 4-[4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-oxobutyl]benzonitrile IUPAC Name: 4-[4-(5,5-dimethyl-1,3-dioxan-2-yl)butanoyl]benzonitrile Traditional Name: 4-[4-(5,5-dimethyl-1,3-dioxan-2-yl)butanoyl]benzonitrile Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3/c1-17(2)11-20-16(21-12-17)5-3-4-15(19)14-8-6-13(10-18)7-9-14/h6-9,16H,3-5,11-12H2,1-2H3