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

Systemtic Name: 4-(2-butyl-2-methyl-1,3-dioxan-5-yl)benzenecarbonitrile Openeye Name: 4-(2-butyl-2-methyl-1,3-dioxan-5-yl)benzonitrile CAS Name: 4-(2-butyl-2-methyl-1,3-dioxan-5-yl)benzonitrile IUPAC Name: 4-(2-butyl-2-methyl-1,3-dioxan-5-yl)benzonitrile Traditional Name: 4-(2-butyl-2-methyl-1,3-dioxan-5-yl)benzonitrile Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(OCC(CO1)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCCCC1(OCC(CO1)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C16H21NO2/c1-3-4-9-16(2)18-11-15(12-19-16)14-7-5-13(10-17)6-8-14/h5-8,15H,3-4,9,11-12H2,1-2H3