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

Systemtic Name: 4-(2-methylbutyl)-1-[1-[4-(4-octylphenyl)cyclohexyl]ethyl]cyclohexane-1-carbonitrile Openeye Name: 4-(2-methylbutyl)-1-[1-[4-(4-octylphenyl)cyclohexyl]ethyl]cyclohexanecarbonitrile CAS Name: 4-(2-methylbutyl)-1-[1-[4-(4-octylphenyl)cyclohexyl]ethyl]-1-cyclohexanecarbonitrile IUPAC Name: 4-(2-methylbutyl)-1-[1-[4-(4-octylphenyl)cyclohexyl]ethyl]cyclohexane-1-carbonitrile Traditional Name: 4-(2-methylbutyl)-1-[1-[4-(4-octylphenyl)cyclohexyl]ethyl]cyclohexanecarbonitrile Formula: C34H55N MolecularWeight: 477.8072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(C)C3(CCC(CC3)CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(C)C3(CCC(CC3)CC(C)CC)C#N

InChI

InChI=1S/C34H55N/c1-5-7-8-9-10-11-12-29-13-15-32(16-14-29)33-19-17-31(18-20-33)28(4)34(26-35)23-21-30(22-24-34)25-27(3)6-2/h13-16,27-28,30-31,33H,5-12,17-25H2,1-4H3