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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C25H25F3N2O2 MolecularWeight: 442.47341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C25H25F3N2O2/c1-2-3-4-5-6-7-18-16-29-23(30-17-18)19-10-14-22(15-11-19)32-24(31)20-8-12-21(13-9-20)25(26,27)28/h8-17H,2-7H2,1H3