11-[4-[4-(2-cyano-2-octyl-cyclohexyl)phenyl]phenoxy]undecyl 2-methylprop-2-enoate

Systemtic Name: 11-[4-[4-(2-cyano-2-octyl-cyclohexyl)phenyl]phenoxy]undecyl 2-methylprop-2-enoate Openeye Name: 11-[4-[4-(2-cyano-2-octyl-cyclohexyl)phenyl]phenoxy]undecyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 11-[4-[4-(2-cyano-2-octylcyclohexyl)phenyl]phenoxy]undecyl ester IUPAC Name: 11-[4-[4-(2-cyano-2-octylcyclohexyl)phenyl]phenoxy]undecyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 11-[4-[4-(2-cyano-2-octyl-cyclohexyl)phenyl]phenoxy]undecyl ester Formula: C42H61NO3 MolecularWeight: 627.93864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCCCC1C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCCCCCOC(=O)C(=C)C)C#N

Isomeric SMILES

CCCCCCCCC1(CCCCC1C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCCCCCOC(=O)C(=C)C)C#N

InChI

InChI=1S/C42H61NO3/c1-4-5-6-7-13-17-30-42(34-43)31-18-16-21-40(42)38-24-22-36(23-25-38)37-26-28-39(29-27-37)45-32-19-14-11-9-8-10-12-15-20-33-46-41(44)35(2)3/h22-29,40H,2,4-21,30-33H2,1,3H3