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

Systemtic Name: [4-(2-hexanoyloxypropanoyl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: [4-(2-hexanoyloxypropanoyl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 4-(5-octyl-2-pyrimidinyl)benzoic acid [4-[1-oxo-2-(1-oxohexoxy)propyl]phenyl] ester IUPAC Name: [4-(2-hexanoyloxypropanoyl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-octylpyrimidin-2-yl)benzoic acid [4-(2-caproyloxypropanoyl)phenyl] ester Formula: C34H42N2O5 MolecularWeight: 558.70768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H42N2O5/c1-4-6-8-9-10-12-13-26-23-35-33(36-24-26)28-15-17-29(18-16-28)34(39)41-30-21-19-27(20-22-30)32(38)25(3)40-31(37)14-11-7-5-2/h15-25H,4-14H2,1-3H3