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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)(CCCC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)(CCCC)C#N

InChI

InChI=1S/C21H31N/c1-3-5-7-18-8-10-19(11-9-18)20-12-15-21(17-22,16-13-20)14-6-4-2/h8-11,20H,3-7,12-16H2,1-2H3