4-[4-(5-butyl-1,4-dioxan-2-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-butyl-1,4-dioxan-2-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(5-butyl-1,4-dioxan-2-yl)phenyl]benzonitrile CAS Name: 4-[4-(5-butyl-1,4-dioxan-2-yl)phenyl]benzonitrile IUPAC Name: 4-[4-(5-butyl-1,4-dioxan-2-yl)phenyl]benzonitrile Traditional Name: 4-[4-(5-butyl-1,4-dioxan-2-yl)phenyl]benzonitrile Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1COC(CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23NO2/c1-2-3-4-20-14-24-21(15-23-20)19-11-9-18(10-12-19)17-7-5-16(13-22)6-8-17/h5-12,20-21H,2-4,14-15H2,1H3