(4-octylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluoranyl-benzoate

Systemtic Name: (4-octylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-octylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-decyl-2-pyrimidinyl)-3-fluorobenzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-decylpyrimidin-2-yl)-3-fluoro-benzoic acid (4-octylphenyl) ester Formula: C35H47FN2O2 MolecularWeight: 546.758283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C35H47FN2O2/c1-3-5-7-9-11-12-14-16-18-29-26-37-34(38-27-29)32-24-21-30(25-33(32)36)35(39)40-31-22-19-28(20-23-31)17-15-13-10-8-6-4-2/h19-27H,3-18H2,1-2H3