[4-(2-hexanoyloxypropanoyl)phenyl] 4-(5-heptylpyridin-2-yl)benzoate

Systemtic Name: [4-(2-hexanoyloxypropanoyl)phenyl] 4-(5-heptylpyridin-2-yl)benzoate Openeye Name: [4-(2-hexanoyloxypropanoyl)phenyl] 4-(5-heptyl-2-pyridyl)benzoate CAS Name: 4-(5-heptyl-2-pyridinyl)benzoic acid [4-[1-oxo-2-(1-oxohexoxy)propyl]phenyl] ester IUPAC Name: [4-(2-hexanoyloxypropanoyl)phenyl] 4-(5-heptylpyridin-2-yl)benzoate Traditional Name: 4-(5-heptyl-2-pyridyl)benzoic acid [4-(2-caproyloxypropanoyl)phenyl] ester Formula: C34H41NO5 MolecularWeight: 543.69304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C(C)OC(=O)CCCCC

InChI

InChI=1S/C34H41NO5/c1-4-6-8-9-11-12-26-14-23-31(35-24-26)27-15-17-29(18-16-27)34(38)40-30-21-19-28(20-22-30)33(37)25(3)39-32(36)13-10-7-5-2/h14-25H,4-13H2,1-3H3