(4-pentylphenyl) 4-(5-butylpyrimidin-2-yl)-3-fluoranyl-benzoate

Systemtic Name: (4-pentylphenyl) 4-(5-butylpyrimidin-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-pentylphenyl) 4-(5-butylpyrimidin-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)-3-fluorobenzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(5-butylpyrimidin-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)-3-fluoro-benzoic acid (4-amylphenyl) ester Formula: C26H29FN2O2 MolecularWeight: 420.519063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCC)F

InChI

InChI=1S/C26H29FN2O2/c1-3-5-7-9-19-10-13-22(14-11-19)31-26(30)21-12-15-23(24(27)16-21)25-28-17-20(18-29-25)8-6-4-2/h10-18H,3-9H2,1-2H3