[4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 3-(trifluoromethyl)benzoate

Systemtic Name: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 3-(trifluoromethyl)benzoate Openeye Name: [4-[4-(2-pyridyl)pyrimidin-2-yl]phenyl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [4-[4-(2-pyridyl)pyrimidin-2-yl]phenyl] ester Formula: C23H14F3N3O2 MolecularWeight: 421.37137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H14F3N3O2/c24-23(25,26)17-5-3-4-16(14-17)22(30)31-18-9-7-15(8-10-18)21-28-13-11-20(29-21)19-6-1-2-12-27-19/h1-14H