[2-(4-octanoyloxyphenyl)pyrimidin-5-yl] tridecanoate

Systemtic Name: [2-(4-octanoyloxyphenyl)pyrimidin-5-yl] tridecanoate Openeye Name: [2-(4-octanoyloxyphenyl)pyrimidin-5-yl] tridecanoate CAS Name: tridecanoic acid [2-[4-(1-oxooctoxy)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-(4-octanoyloxyphenyl)pyrimidin-5-yl] tridecanoate Traditional Name: tridecanoic acid [2-(4-caprylyloxyphenyl)pyrimidin-5-yl] ester Formula: C31H46N2O4 MolecularWeight: 510.70794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCC

InChI

InChI=1S/C31H46N2O4/c1-3-5-7-9-10-11-12-13-15-17-19-30(35)37-28-24-32-31(33-25-28)26-20-22-27(23-21-26)36-29(34)18-16-14-8-6-4-2/h20-25H,3-19H2,1-2H3