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

Systemtic Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 4-(5-octyl-2-pyrimidinyl)benzoic acid [4-[1-oxo-2-(1-oxoheptoxy)propyl]phenyl] ester IUPAC Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-octylpyrimidin-2-yl)benzoic acid [4-(2-enanthyloxypropanoyl)phenyl] ester Formula: C35H44N2O5 MolecularWeight: 572.73426

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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)CCCCCC

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)CCCCCC

InChI

InChI=1S/C35H44N2O5/c1-4-6-8-10-11-12-14-27-24-36-34(37-25-27)29-16-18-30(19-17-29)35(40)42-31-22-20-28(21-23-31)33(39)26(3)41-32(38)15-13-9-7-5-2/h16-26H,4-15H2,1-3H3