[4-(4-cyanophenyl)phenyl] 4-[2-(3-methyl-5-octadecoxycarbonyl-heptan-2-yl)oxyethoxy]benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-[2-(3-methyl-5-octadecoxycarbonyl-heptan-2-yl)oxyethoxy]benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-[2-(1,2-dimethyl-4-octadecoxycarbonyl-hexoxy)ethoxy]benzoate CAS Name: 4-[2-[3-methyl-5-[octadecoxy(oxo)methyl]heptan-2-yl]oxyethoxy]benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-[2-(3-methyl-5-octadecoxycarbonylheptan-2-yl)oxyethoxy]benzoate Traditional Name: 4-[2-(1,2-dimethyl-4-stearyloxycarbonyl-hexoxy)ethoxy]benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C49H69NO6 MolecularWeight: 768.07526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC)CC(C)C(C)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC)CC(C)C(C)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C49H69NO6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34-55-48(51)42(6-2)37-39(3)40(4)53-35-36-54-46-30-28-45(29-31-46)49(52)56-47-32-26-44(27-33-47)43-24-22-41(38-50)23-25-43/h22-33,39-40,42H,5-21,34-37H2,1-4H3