4-(2-fluoranyloctoxy)-2-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoic acid

Systemtic Name: 4-(2-fluoranyloctoxy)-2-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoic acid Openeye Name: 4-(2-fluorooctoxy)-2-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoic acid CAS Name: 4-(2-fluorooctoxy)-2-[4-(5-nonyl-2-pyrimidinyl)phenyl]benzoic acid IUPAC Name: 4-(2-fluorooctoxy)-2-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoic acid Traditional Name: 4-(2-fluorooctoxy)-2-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoic acid Formula: C34H45FN2O3 MolecularWeight: 548.731103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)OCC(CCCCCC)F)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)OCC(CCCCCC)F)C(=O)O

InChI

InChI=1S/C34H45FN2O3/c1-3-5-7-9-10-11-12-14-26-23-36-33(37-24-26)28-18-16-27(17-19-28)32-22-30(20-21-31(32)34(38)39)40-25-29(35)15-13-8-6-4-2/h16-24,29H,3-15,25H2,1-2H3,(H,38,39)