4-(2-methyl-2-pentyl-1,3-dioxan-5-yl)benzenecarbonitrile

Systemtic Name: 4-(2-methyl-2-pentyl-1,3-dioxan-5-yl)benzenecarbonitrile Openeye Name: 4-(2-methyl-2-pentyl-1,3-dioxan-5-yl)benzonitrile CAS Name: 4-(2-methyl-2-pentyl-1,3-dioxan-5-yl)benzonitrile IUPAC Name: 4-(2-methyl-2-pentyl-1,3-dioxan-5-yl)benzonitrile Traditional Name: 4-(2-amyl-2-methyl-1,3-dioxan-5-yl)benzonitrile Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OCC(CO1)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCCCCC1(OCC(CO1)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C17H23NO2/c1-3-4-5-10-17(2)19-12-16(13-20-17)15-8-6-14(11-18)7-9-15/h6-9,16H,3-5,10,12-13H2,1-2H3