4-[4-(4-butoxyphenyl)phenyl]-1-hexyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(4-butoxyphenyl)phenyl]-1-hexyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-butoxyphenyl)phenyl]-1-hexyl-cyclohexanecarbonitrile CAS Name: 4-[4-(4-butoxyphenyl)phenyl]-1-hexyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-butoxyphenyl)phenyl]-1-hexylcyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-butoxyphenyl)phenyl]-1-hexyl-cyclohexanecarbonitrile Formula: C29H39NO MolecularWeight: 417.62606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCC)C#N

Isomeric SMILES

CCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCC)C#N

InChI

InChI=1S/C29H39NO/c1-3-5-7-8-19-29(23-30)20-17-27(18-21-29)25-11-9-24(10-12-25)26-13-15-28(16-14-26)31-22-6-4-2/h9-16,27H,3-8,17-22H2,1-2H3