[4-(5-nonanoyloxypyrimidin-2-yl)phenyl] nonanoate

Systemtic Name: [4-(5-nonanoyloxypyrimidin-2-yl)phenyl] nonanoate Openeye Name: [4-(5-nonanoyloxypyrimidin-2-yl)phenyl] nonanoate CAS Name: nonanoic acid [4-[5-(1-oxononoxy)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-(5-nonanoyloxypyrimidin-2-yl)phenyl] nonanoate Traditional Name: pelargonic acid [4-(5-pelargonyloxypyrimidin-2-yl)phenyl] ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCC

InChI

InChI=1S/C28H40N2O4/c1-3-5-7-9-11-13-15-26(31)33-24-19-17-23(18-20-24)28-29-21-25(22-30-28)34-27(32)16-14-12-10-8-6-4-2/h17-22H,3-16H2,1-2H3