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

Systemtic Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-(5-octylpyridin-2-yl)benzoate Openeye Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-(5-octyl-2-pyridyl)benzoate CAS Name: 4-(5-octyl-2-pyridinyl)benzoic acid [4-[1-oxo-2-(1-oxoheptoxy)propyl]phenyl] ester IUPAC Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-(5-octylpyridin-2-yl)benzoate Traditional Name: 4-(5-octyl-2-pyridyl)benzoic acid [4-(2-enanthyloxypropanoyl)phenyl] ester Formula: C36H45NO5 MolecularWeight: 571.7462

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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)CCCCCC

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)CCCCCC

InChI

InChI=1S/C36H45NO5/c1-4-6-8-10-11-12-14-28-16-25-33(37-26-28)29-17-19-31(20-18-29)36(40)42-32-23-21-30(22-24-32)35(39)27(3)41-34(38)15-13-9-7-5-2/h16-27H,4-15H2,1-3H3