4-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-1-pentyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]cyclohexanecarbonitrile Formula: C37H53N MolecularWeight: 511.82342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCCCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCCCC)C#N

InChI

InChI=1S/C37H53N/c1-3-5-7-8-9-11-30-12-14-31(15-13-30)32-16-18-33(19-17-32)34-20-22-35(23-21-34)36-24-27-37(29-38,28-25-36)26-10-6-4-2/h16-23,30-31,36H,3-15,24-28H2,1-2H3