7-[2-(4-octoxyphenyl)pyrimidin-5-yl]heptanoic acid

Systemtic Name: 7-[2-(4-octoxyphenyl)pyrimidin-5-yl]heptanoic acid Openeye Name: 7-[2-(4-octoxyphenyl)pyrimidin-5-yl]heptanoic acid CAS Name: 7-[2-(4-octoxyphenyl)-5-pyrimidinyl]heptanoic acid IUPAC Name: 7-[2-(4-octoxyphenyl)pyrimidin-5-yl]heptanoic acid Traditional Name: 7-[2-(4-octoxyphenyl)pyrimidin-5-yl]enanthic acid Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCC(=O)O

InChI

InChI=1S/C25H36N2O3/c1-2-3-4-5-8-11-18-30-23-16-14-22(15-17-23)25-26-19-21(20-27-25)12-9-6-7-10-13-24(28)29/h14-17,19-20H,2-13,18H2,1H3,(H,28,29)