(4-nonylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluoranyl-benzoate

Systemtic Name: (4-nonylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-nonylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-decyl-2-pyrimidinyl)-3-fluorobenzoic acid (4-nonylphenyl) ester IUPAC Name: (4-nonylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-decylpyrimidin-2-yl)-3-fluoro-benzoic acid (4-nonylphenyl) ester Formula: C36H49FN2O2 MolecularWeight: 560.784863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCCCC)F

InChI

InChI=1S/C36H49FN2O2/c1-3-5-7-9-11-13-15-17-19-30-27-38-35(39-28-30)33-25-22-31(26-34(33)37)36(40)41-32-23-20-29(21-24-32)18-16-14-12-10-8-6-4-2/h20-28H,3-19H2,1-2H3