(4-heptylphenyl) 4-(5-butylpyrimidin-2-yl)-2-fluoranyl-benzoate

Systemtic Name: (4-heptylphenyl) 4-(5-butylpyrimidin-2-yl)-2-fluoranyl-benzoate Openeye Name: (4-heptylphenyl) 4-(5-butylpyrimidin-2-yl)-2-fluoro-benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)-2-fluorobenzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)-2-fluoro-benzoic acid (4-heptylphenyl) ester Formula: C28H33FN2O2 MolecularWeight: 448.572223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCC)F

InChI

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