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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)(C#N)C2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCC1CCC(CC1)(C#N)C2=CC=C(C=C2)CCCC

InChI

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