1-butyl-4-[4-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-butyl-4-[4-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-butyl-4-[4-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexanecarbonitrile Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCCC)C#N

Isomeric SMILES

CCCCC1COC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCCC)C#N

InChI

InChI=1S/C31H41NO2/c1-3-5-7-24-21-33-30(34-22-24)29-14-12-26(13-15-29)25-8-10-27(11-9-25)28-16-19-31(23-32,20-17-28)18-6-4-2/h8-15,24,28,30H,3-7,16-22H2,1-2H3