(4-propylphenyl) 3-fluoranyl-4-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: (4-propylphenyl) 3-fluoranyl-4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: (4-propylphenyl) 3-fluoro-4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 3-fluoro-4-(5-octyl-2-pyrimidinyl)benzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 3-fluoro-4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-octylpyrimidin-2-yl)benzoic acid (4-propylphenyl) ester Formula: C28H33FN2O2 MolecularWeight: 448.572223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)F

InChI

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