5-butyl-2-(4-butylphenyl)cyclohexane-1-carbonitrile

Systemtic Name: 5-butyl-2-(4-butylphenyl)cyclohexane-1-carbonitrile Openeye Name: 5-butyl-2-(4-butylphenyl)cyclohexanecarbonitrile CAS Name: 5-butyl-2-(4-butylphenyl)-1-cyclohexanecarbonitrile IUPAC Name: 5-butyl-2-(4-butylphenyl)cyclohexane-1-carbonitrile Traditional Name: 5-butyl-2-(4-butylphenyl)cyclohexanecarbonitrile Formula: C21H31N MolecularWeight: 297.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(C(C1)C#N)C2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCC1CCC(C(C1)C#N)C2=CC=C(C=C2)CCCC

InChI

InChI=1S/C21H31N/c1-3-5-7-17-9-12-19(13-10-17)21-14-11-18(8-6-4-2)15-20(21)16-22/h9-10,12-13,18,20-21H,3-8,11,14-15H2,1-2H3