[4-cyano-4-(2-methylbutyl)cyclohexyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [4-cyano-4-(2-methylbutyl)cyclohexyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-cyano-4-(2-methylbutyl)cyclohexyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-cyano-4-(2-methylbutyl)cyclohexyl] ester IUPAC Name: [4-cyano-4-(2-methylbutyl)cyclohexyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-cyano-4-(2-methylbutyl)cyclohexyl] ester Formula: C33H45NO3 MolecularWeight: 503.7153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CC(C)CC)C#N

InChI

InChI=1S/C33H45NO3/c1-4-6-7-8-9-10-23-36-30-17-15-28(16-18-30)27-11-13-29(14-12-27)32(35)37-31-19-21-33(25-34,22-20-31)24-26(3)5-2/h11-18,26,31H,4-10,19-24H2,1-3H3