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

Systemtic Name: 1-butyl-4-[4-(5-pentyl-1,3-dioxan-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-(5-pentyl-1,3-dioxan-2-yl)phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-(5-pentyl-1,3-dioxan-2-yl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-(5-pentyl-1,3-dioxan-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 4-[4-(5-amyl-1,3-dioxan-2-yl)phenyl]-1-butyl-cyclohexanecarbonitrile Formula: C26H39NO2 MolecularWeight: 397.59336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

Isomeric SMILES

CCCCCC1COC(OC1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

InChI

InChI=1S/C26H39NO2/c1-3-5-7-8-21-18-28-25(29-19-21)24-11-9-22(10-12-24)23-13-16-26(20-27,17-14-23)15-6-4-2/h9-12,21,23,25H,3-8,13-19H2,1-2H3