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

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(2-fluoranyloctoxy)benzoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(2-fluorooctoxy)benzoate CAS Name: 4-(2-fluorooctoxy)benzoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(2-fluorooctoxy)benzoate Traditional Name: 4-(2-fluorooctoxy)benzoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester 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)OC(=O)C3=CC=C(C=C3)OCC(CCCCCC)F

Isomeric SMILES

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

InChI

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