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

Systemtic Name: [4-(2-butanoyloxypropanoyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: [4-(2-butanoyloxypropanoyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid [4-[1-oxo-2-(1-oxobutoxy)propyl]phenyl] ester IUPAC Name: [4-(2-butanoyloxypropanoyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid [4-(2-butyryloxypropanoyl)phenyl] ester Formula: C30H34N2O5 MolecularWeight: 502.60136

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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)CCC

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)CCC

InChI

InChI=1S/C30H34N2O5/c1-4-6-7-8-10-22-19-31-29(32-20-22)24-11-13-25(14-12-24)30(35)37-26-17-15-23(16-18-26)28(34)21(3)36-27(33)9-5-2/h11-21H,4-10H2,1-3H3