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

Systemtic Name: [4-[3-(trifluoromethyl)nonyl]phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: [4-[3-(trifluoromethyl)nonyl]phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid [4-[3-(trifluoromethyl)nonyl]phenyl] ester IUPAC Name: [4-[3-(trifluoromethyl)nonyl]phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid [4-[3-(trifluoromethyl)nonyl]phenyl] ester Formula: C34H43F3N2O2 MolecularWeight: 568.71263

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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(CCCCCC)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C34H43F3N2O2/c1-3-5-7-9-10-12-27-24-38-32(39-25-27)28-17-19-29(20-18-28)33(40)41-31-22-15-26(16-23-31)14-21-30(34(35,36)37)13-11-8-6-4-2/h15-20,22-25,30H,3-14,21H2,1-2H3