[4-(5-decylpyrimidin-2-yl)-3-fluoranyl-phenyl] 4-octylbenzoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)-3-fluoranyl-phenyl] 4-octylbenzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [4-(5-decyl-2-pyrimidinyl)-3-fluorophenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)-3-fluorophenyl] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] 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)OC(=O)C3=CC=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=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)32-24-23-31(25-33(32)36)40-35(39)30-21-19-28(20-22-30)17-15-13-10-8-6-4-2/h19-27H,3-18H2,1-2H3