5-pentyl-2-phenyl-1,3-dioxane-2-carbonitrile

Systemtic Name: 5-pentyl-2-phenyl-1,3-dioxane-2-carbonitrile Openeye Name: 5-pentyl-2-phenyl-1,3-dioxane-2-carbonitrile CAS Name: 5-pentyl-2-phenyl-1,3-dioxane-2-carbonitrile IUPAC Name: 5-pentyl-2-phenyl-1,3-dioxane-2-carbonitrile Traditional Name: 5-amyl-2-phenyl-1,3-dioxane-2-carbonitrile Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)(C#N)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1COC(OC1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H21NO2/c1-2-3-5-8-14-11-18-16(13-17,19-12-14)15-9-6-4-7-10-15/h4,6-7,9-10,14H,2-3,5,8,11-12H2,1H3