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

Systemtic Name: [2-(4-octanoyloxyphenyl)pyrimidin-5-yl] nonanoate Openeye Name: [2-(4-octanoyloxyphenyl)pyrimidin-5-yl] nonanoate CAS Name: nonanoic acid [2-[4-(1-oxooctoxy)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-(4-octanoyloxyphenyl)pyrimidin-5-yl] nonanoate Traditional Name: pelargonic acid [2-(4-caprylyloxyphenyl)pyrimidin-5-yl] ester Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O4/c1-3-5-7-9-11-13-15-26(31)33-24-20-28-27(29-21-24)22-16-18-23(19-17-22)32-25(30)14-12-10-8-6-4-2/h16-21H,3-15H2,1-2H3