(4-nonylphenyl) 2-fluoranyl-4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-nonylphenyl) 2-fluoranyl-4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-nonylphenyl) 2-fluoro-4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-nonylphenyl) ester IUPAC Name: (4-nonylphenyl) 2-fluoro-4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-heptylpyrimidin-2-yl)benzoic acid (4-nonylphenyl) ester Formula: C33H43FN2O2 MolecularWeight: 518.705123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCC)F

InChI

InChI=1S/C33H43FN2O2/c1-3-5-7-9-10-12-13-15-26-17-20-29(21-18-26)38-33(37)30-22-19-28(23-31(30)34)32-35-24-27(25-36-32)16-14-11-8-6-4-2/h17-25H,3-16H2,1-2H3