(4-nonylphenyl) 2-fluoranyl-4-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: (4-nonylphenyl) 2-fluoranyl-4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: (4-nonylphenyl) 2-fluoro-4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-octyl-2-pyrimidinyl)benzoic acid (4-nonylphenyl) ester IUPAC Name: (4-nonylphenyl) 2-fluoro-4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-octylpyrimidin-2-yl)benzoic acid (4-nonylphenyl) ester Formula: C34H45FN2O2 MolecularWeight: 532.731703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)F

InChI

InChI=1S/C34H45FN2O2/c1-3-5-7-9-11-13-14-16-27-18-21-30(22-19-27)39-34(38)31-23-20-29(24-32(31)35)33-36-25-28(26-37-33)17-15-12-10-8-6-4-2/h18-26H,3-17H2,1-2H3