1,1,1-tris(fluoranyl)octan-2-yl 4-(4-phenylpyrimidin-2-yl)benzoate

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-(4-phenylpyrimidin-2-yl)benzoate Openeye Name: 1-(trifluoromethyl)heptyl 4-(4-phenylpyrimidin-2-yl)benzoate CAS Name: 4-(4-phenyl-2-pyrimidinyl)benzoic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-(4-phenylpyrimidin-2-yl)benzoate Traditional Name: 4-(4-phenylpyrimidin-2-yl)benzoic acid 1-(trifluoromethyl)heptyl ester Formula: C25H25F3N2O2 MolecularWeight: 442.47341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C25H25F3N2O2/c1-2-3-4-8-11-22(25(26,27)28)32-24(31)20-14-12-19(13-15-20)23-29-17-16-21(30-23)18-9-6-5-7-10-18/h5-7,9-10,12-17,22H,2-4,8,11H2,1H3