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

Systemtic Name: (4-octylphenyl) 4-(5-butylpyrimidin-2-yl)-2-fluoranyl-benzoate Openeye Name: (4-octylphenyl) 4-(5-butylpyrimidin-2-yl)-2-fluoro-benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)-2-fluorobenzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)-2-fluoro-benzoic acid (4-octylphenyl) ester Formula: C29H35FN2O2 MolecularWeight: 462.598803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCC)F

InChI

InChI=1S/C29H35FN2O2/c1-3-5-7-8-9-10-12-22-13-16-25(17-14-22)34-29(33)26-18-15-24(19-27(26)30)28-31-20-23(21-32-28)11-6-4-2/h13-21H,3-12H2,1-2H3