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

Systemtic Name: (4-hexylphenyl) 3-fluoranyl-4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-hexylphenyl) 3-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 3-fluoro-4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 3-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)-3-fluoro-benzoic acid (4-hexylphenyl) ester Formula: C28H33FN2O2 MolecularWeight: 448.572223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCC)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCC)F

InChI

InChI=1S/C28H33FN2O2/c1-3-5-7-9-10-21-12-15-24(16-13-21)33-28(32)23-14-17-25(26(29)18-23)27-30-19-22(20-31-27)11-8-6-4-2/h12-20H,3-11H2,1-2H3