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

Systemtic Name: [4-(2-butanoyloxypropanoyl)phenyl] 4-(5-hexylpyridin-2-yl)benzoate Openeye Name: [4-(2-butanoyloxypropanoyl)phenyl] 4-(5-hexyl-2-pyridyl)benzoate CAS Name: 4-(5-hexyl-2-pyridinyl)benzoic acid [4-[1-oxo-2-(1-oxobutoxy)propyl]phenyl] ester IUPAC Name: [4-(2-butanoyloxypropanoyl)phenyl] 4-(5-hexylpyridin-2-yl)benzoate Traditional Name: 4-(5-hexyl-2-pyridyl)benzoic acid [4-(2-butyryloxypropanoyl)phenyl] ester Formula: C31H35NO5 MolecularWeight: 501.6133

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=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

CCCCCCC1=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/C31H35NO5/c1-4-6-7-8-10-23-11-20-28(32-21-23)24-12-14-26(15-13-24)31(35)37-27-18-16-25(17-19-27)30(34)22(3)36-29(33)9-5-2/h11-22H,4-10H2,1-3H3