(4-hexylphenyl) 3-fluoranyl-4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-hexylphenyl) 3-fluoranyl-4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-hexylphenyl) 3-fluoro-4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 3-fluoro-4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 3-fluoro-4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-heptylpyrimidin-2-yl)benzoic acid (4-hexylphenyl) ester Formula: C30H37FN2O2 MolecularWeight: 476.625383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCC)F

InChI

InChI=1S/C30H37FN2O2/c1-3-5-7-9-11-13-24-21-32-29(33-22-24)27-19-16-25(20-28(27)31)30(34)35-26-17-14-23(15-18-26)12-10-8-6-4-2/h14-22H,3-13H2,1-2H3