O1-[2-[4-[4-(4-cyanophenyl)phenoxy]carbonylphenoxy]ethyl] O5-octadecyl 4-ethyl-2-methyl-pentanedioate

Systemtic Name: O1-[2-[4-[4-(4-cyanophenyl)phenoxy]carbonylphenoxy]ethyl] O5-octadecyl 4-ethyl-2-methyl-pentanedioate Openeye Name: O1-[2-[4-[4-(4-cyanophenyl)phenoxy]carbonylphenoxy]ethyl] O5-octadecyl 4-ethyl-2-methyl-pentanedioate CAS Name: 4-ethyl-2-methylpentanedioic acid O1-[2-[4-[[4-(4-cyanophenyl)phenoxy]-oxomethyl]phenoxy]ethyl] ester O5-octadecyl ester IUPAC Name: 1-O-[2-[4-[4-(4-cyanophenyl)phenoxy]carbonylphenoxy]ethyl] 5-O-octadecyl 4-ethyl-2-methylpentanedioate Traditional Name: 4-ethyl-2-methyl-glutaric acid O1-[2-[4-[4-(4-cyanophenyl)phenoxy]carbonylphenoxy]ethyl] ester O5-stearyl ester Formula: C48H65NO7 MolecularWeight: 768.0322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C48H65NO7/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-54-47(51)40(5-2)36-38(3)46(50)55-35-34-53-44-29-27-43(28-30-44)48(52)56-45-31-25-42(26-32-45)41-23-21-39(37-49)22-24-41/h21-32,38,40H,4-20,33-36H2,1-3H3