[4-[3-(trifluoromethyl)heptyl]phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: [4-[3-(trifluoromethyl)heptyl]phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: [4-[3-(trifluoromethyl)heptyl]phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid [4-[3-(trifluoromethyl)heptyl]phenyl] ester IUPAC Name: [4-[3-(trifluoromethyl)heptyl]phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid [4-[3-(trifluoromethyl)heptyl]phenyl] ester Formula: C32H39F3N2O2 MolecularWeight: 540.65947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC(CCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC(CCCC)C(F)(F)F

InChI

InChI=1S/C32H39F3N2O2/c1-3-5-7-8-9-10-25-22-36-30(37-23-25)26-15-17-27(18-16-26)31(38)39-29-20-13-24(14-21-29)12-19-28(11-6-4-2)32(33,34)35/h13-18,20-23,28H,3-12,19H2,1-2H3