[4-[4-(5-octylpyridin-2-yl)phenyl]phenyl] 8-cyclopentyloctanoate

Systemtic Name: [4-[4-(5-octylpyridin-2-yl)phenyl]phenyl] 8-cyclopentyloctanoate Openeye Name: [4-[4-(5-octyl-2-pyridyl)phenyl]phenyl] 8-cyclopentyloctanoate CAS Name: 8-cyclopentyloctanoic acid [4-[4-(5-octyl-2-pyridinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-octylpyridin-2-yl)phenyl]phenyl] 8-cyclopentyloctanoate Traditional Name: 8-cyclopentylcaprylic acid [4-[4-(5-octyl-2-pyridyl)phenyl]phenyl] ester Formula: C38H51NO2 MolecularWeight: 553.81704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCCCCC4CCCC4

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCCCCC4CCCC4

InChI

InChI=1S/C38H51NO2/c1-2-3-4-5-7-11-18-32-20-29-37(39-30-32)35-23-21-33(22-24-35)34-25-27-36(28-26-34)41-38(40)19-12-9-6-8-10-15-31-16-13-14-17-31/h20-31H,2-19H2,1H3