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

Systemtic Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid [4-[1-oxo-2-(1-oxoheptoxy)propyl]phenyl] ester IUPAC Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid [4-(2-enanthyloxypropanoyl)phenyl] ester Formula: C33H40N2O5 MolecularWeight: 544.6811

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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)CCCCCC

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)CCCCCC

InChI

InChI=1S/C33H40N2O5/c1-4-6-8-10-12-25-22-34-32(35-23-25)27-14-16-28(17-15-27)33(38)40-29-20-18-26(19-21-29)31(37)24(3)39-30(36)13-11-9-7-5-2/h14-24H,4-13H2,1-3H3