4-[2-[3-fluoranyl-4-(2-fluoranyloctoxy)phenyl]pyrimidin-5-yl]benzoic acid

Systemtic Name: 4-[2-[3-fluoranyl-4-(2-fluoranyloctoxy)phenyl]pyrimidin-5-yl]benzoic acid Openeye Name: 4-[2-[3-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidin-5-yl]benzoic acid CAS Name: 4-[2-[3-fluoro-4-(2-fluorooctoxy)phenyl]-5-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-[3-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidin-5-yl]benzoic acid Traditional Name: 4-[2-[3-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidin-5-yl]benzoic acid Formula: C25H26F2N2O3 MolecularWeight: 440.482346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(COC1=C(C=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=O)O)F)F

Isomeric SMILES

CCCCCCC(COC1=C(C=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=O)O)F)F

InChI

InChI=1S/C25H26F2N2O3/c1-2-3-4-5-6-21(26)16-32-23-12-11-19(13-22(23)27)24-28-14-20(15-29-24)17-7-9-18(10-8-17)25(30)31/h7-15,21H,2-6,16H2,1H3,(H,30,31)