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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(OCCC(O1)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCC1(OCCC(O1)C)C2=CC=C(C=C2)C#N

InChI

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