9-[2-(4-heptanoyloxyphenyl)pyrimidin-5-yl]nonanoic acid

Systemtic Name: 9-[2-(4-heptanoyloxyphenyl)pyrimidin-5-yl]nonanoic acid Openeye Name: 9-[2-(4-heptanoyloxyphenyl)pyrimidin-5-yl]nonanoic acid CAS Name: 9-[2-[4-(1-oxoheptoxy)phenyl]-5-pyrimidinyl]nonanoic acid IUPAC Name: 9-[2-(4-heptanoyloxyphenyl)pyrimidin-5-yl]nonanoic acid Traditional Name: 9-[2-(4-enanthyloxyphenyl)pyrimidin-5-yl]pelargonic acid Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4/c1-2-3-4-11-14-25(31)32-23-17-15-22(16-18-23)26-27-19-21(20-28-26)12-9-7-5-6-8-10-13-24(29)30/h15-20H,2-14H2,1H3,(H,29,30)