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

Systemtic Name: [4-(2-hexanoyloxypropanoyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: [4-(2-hexanoyloxypropanoyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid [4-[1-oxo-2-(1-oxohexoxy)propyl]phenyl] ester IUPAC Name: [4-(2-hexanoyloxypropanoyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid [4-(2-caproyloxypropanoyl)phenyl] ester Formula: C32H38N2O5 MolecularWeight: 530.65452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=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

CCCCCCC1=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/C32H38N2O5/c1-4-6-8-10-11-24-21-33-31(34-22-24)26-13-15-27(16-14-26)32(37)39-28-19-17-25(18-20-28)30(36)23(3)38-29(35)12-9-7-5-2/h13-23H,4-12H2,1-3H3