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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)OC(=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

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