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

Systemtic Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-(5-heptylpyridin-2-yl)benzoate Openeye Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-(5-heptyl-2-pyridyl)benzoate CAS Name: 4-(5-heptyl-2-pyridinyl)benzoic acid [4-[1-oxo-2-(1-oxoheptoxy)propyl]phenyl] ester IUPAC Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-(5-heptylpyridin-2-yl)benzoate Traditional Name: 4-(5-heptyl-2-pyridyl)benzoic acid [4-(2-enanthyloxypropanoyl)phenyl] ester Formula: C35H43NO5 MolecularWeight: 557.71962

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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)CCCCCC

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)CCCCCC

InChI

InChI=1S/C35H43NO5/c1-4-6-8-10-11-13-27-15-24-32(36-25-27)28-16-18-30(19-17-28)35(39)41-31-22-20-29(21-23-31)34(38)26(3)40-33(37)14-12-9-7-5-2/h15-26H,4-14H2,1-3H3