[4-(2-butanoyloxypropanoyl)phenyl] 4-(5-octylpyridin-2-yl)benzoate

Systemtic Name: [4-(2-butanoyloxypropanoyl)phenyl] 4-(5-octylpyridin-2-yl)benzoate Openeye Name: [4-(2-butanoyloxypropanoyl)phenyl] 4-(5-octyl-2-pyridyl)benzoate CAS Name: 4-(5-octyl-2-pyridinyl)benzoic acid [4-[1-oxo-2-(1-oxobutoxy)propyl]phenyl] ester IUPAC Name: [4-(2-butanoyloxypropanoyl)phenyl] 4-(5-octylpyridin-2-yl)benzoate Traditional Name: 4-(5-octyl-2-pyridyl)benzoic acid [4-(2-butyryloxypropanoyl)phenyl] ester Formula: C33H39NO5 MolecularWeight: 529.66646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C(C)OC(=O)CCC

InChI

InChI=1S/C33H39NO5/c1-4-6-7-8-9-10-12-25-13-22-30(34-23-25)26-14-16-28(17-15-26)33(37)39-29-20-18-27(19-21-29)32(36)24(3)38-31(35)11-5-2/h13-24H,4-12H2,1-3H3