1-(2-methylbutyl)-4-[4-(4-octylphenyl)cyclohexyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-(2-methylbutyl)-4-[4-(4-octylphenyl)cyclohexyl]cyclohexane-1-carbonitrile Openeye Name: 1-(2-methylbutyl)-4-[4-(4-octylphenyl)cyclohexyl]cyclohexanecarbonitrile CAS Name: 1-(2-methylbutyl)-4-[4-(4-octylphenyl)cyclohexyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-methylbutyl)-4-[4-(4-octylphenyl)cyclohexyl]cyclohexane-1-carbonitrile Traditional Name: 1-(2-methylbutyl)-4-[4-(4-octylphenyl)cyclohexyl]cyclohexanecarbonitrile Formula: C32H51N MolecularWeight: 449.75404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C3CCC(CC3)(CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C3CCC(CC3)(CC(C)CC)C#N

InChI

InChI=1S/C32H51N/c1-4-6-7-8-9-10-11-27-12-14-28(15-13-27)29-16-18-30(19-17-29)31-20-22-32(25-33,23-21-31)24-26(3)5-2/h12-15,26,29-31H,4-11,16-24H2,1-3H3