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

Systemtic Name: 4-[4-(5-ethyl-1,3-dioxan-2-yl)phenyl]-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(5-ethyl-1,3-dioxan-2-yl)phenyl]-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-[4-(5-ethyl-1,3-dioxan-2-yl)phenyl]-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(5-ethyl-1,3-dioxan-2-yl)phenyl]-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-(5-ethyl-1,3-dioxan-2-yl)phenyl]cyclohexanecarbonitrile Formula: C24H35NO2 MolecularWeight: 369.5402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO2/c1-3-5-6-13-24(18-25)14-11-21(12-15-24)20-7-9-22(10-8-20)23-26-16-19(4-2)17-27-23/h7-10,19,21,23H,3-6,11-17H2,1-2H3