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

Systemtic Name: 1-pentyl-4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-pentyl-4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]cyclohexanecarbonitrile CAS Name: 1-pentyl-4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-pentyl-4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]cyclohexanecarbonitrile Formula: C25H37NO2 MolecularWeight: 383.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3OCC(CO3)CCC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3OCC(CO3)CCC)C#N

InChI

InChI=1S/C25H37NO2/c1-3-5-6-14-25(19-26)15-12-22(13-16-25)21-8-10-23(11-9-21)24-27-17-20(7-4-2)18-28-24/h8-11,20,22,24H,3-7,12-18H2,1-2H3