(4-decylphenyl) 2-fluoranyl-4-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: (4-decylphenyl) 2-fluoranyl-4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: (4-decylphenyl) 2-fluoro-4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-octyl-2-pyrimidinyl)benzoic acid (4-decylphenyl) ester IUPAC Name: (4-decylphenyl) 2-fluoro-4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-octylpyrimidin-2-yl)benzoic acid (4-decylphenyl) ester Formula: C35H47FN2O2 MolecularWeight: 546.758283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)F

InChI

InChI=1S/C35H47FN2O2/c1-3-5-7-9-11-12-14-15-17-28-19-22-31(23-20-28)40-35(39)32-24-21-30(25-33(32)36)34-37-26-29(27-38-34)18-16-13-10-8-6-4-2/h19-27H,3-18H2,1-2H3