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

Systemtic Name: 4-[4-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]phenyl]-1-ethyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]phenyl]-1-ethyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]phenyl]-1-ethyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]phenyl]-1-ethylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]phenyl]-1-ethyl-cyclohexanecarbonitrile Formula: C29H37NO2 MolecularWeight: 431.60958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO2/c1-3-5-6-22-19-31-28(32-20-22)27-13-11-24(12-14-27)23-7-9-25(10-8-23)26-15-17-29(4-2,21-30)18-16-26/h7-14,22,26,28H,3-6,15-20H2,1-2H3