[4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-(4-propoxybutyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: [4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-(4-propoxybutyl)cyclohex-3-ene-1-carboxylate Openeye Name: [4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-(4-propoxybutyl)cyclohex-3-ene-1-carboxylate CAS Name: 4-(4-propoxybutyl)-1-cyclohex-3-enecarboxylic acid [4-[2-(4-pentylcyclohexyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-(4-propoxybutyl)cyclohex-3-ene-1-carboxylate Traditional Name: 4-(4-propoxybutyl)cyclohex-3-ene-1-carboxylic acid [4-[2-(4-amylcyclohexyl)ethyl]phenyl] ester Formula: C33H52O3 MolecularWeight: 496.76418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCC2=CC=C(C=C2)OC(=O)C3CCC(=CC3)CCCCOCCC

Isomeric SMILES

CCCCCC1CCC(CC1)CCC2=CC=C(C=C2)OC(=O)C3CCC(=CC3)CCCCOCCC

InChI

InChI=1S/C33H52O3/c1-3-5-6-9-27-11-13-29(14-12-27)15-16-30-19-23-32(24-20-30)36-33(34)31-21-17-28(18-22-31)10-7-8-26-35-25-4-2/h17,19-20,23-24,27,29,31H,3-16,18,21-22,25-26H2,1-2H3