[4-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]phenyl] 4-(5-pentadecylpyrimidin-2-yl)benzoate

Systemtic Name: [4-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]phenyl] 4-(5-pentadecylpyrimidin-2-yl)benzoate Openeye Name: [4-[1-(trifluoromethyl)heptoxycarbonyl]phenyl] 4-(5-pentadecylpyrimidin-2-yl)benzoate CAS Name: 4-(5-pentadecyl-2-pyrimidinyl)benzoic acid [4-[oxo(1,1,1-trifluorooctan-2-yloxy)methyl]phenyl] ester IUPAC Name: [4-(1,1,1-trifluorooctan-2-yloxycarbonyl)phenyl] 4-(5-pentadecylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-pentadecylpyrimidin-2-yl)benzoic acid [4-[1-(trifluoromethyl)heptoxycarbonyl]phenyl] ester Formula: C41H55F3N2O4 MolecularWeight: 696.88161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(CCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(CCCCCC)C(F)(F)F

InChI

InChI=1S/C41H55F3N2O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-32-30-45-38(46-31-32)33-22-24-34(25-23-33)39(47)49-36-28-26-35(27-29-36)40(48)50-37(41(42,43)44)21-19-8-6-4-2/h22-31,37H,3-21H2,1-2H3