[1,1,1-tris(fluoranyl)-3-methoxy-propan-2-yl] 4-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-3-methoxy-propan-2-yl] 4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: [2,2,2-trifluoro-1-(methoxymethyl)ethyl] 4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 4-(5-octyl-2-pyrimidinyl)benzoic acid (1,1,1-trifluoro-3-methoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-methoxypropan-2-yl) 4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-octylpyrimidin-2-yl)benzoic acid [2,2,2-trifluoro-1-(methoxymethyl)ethyl] ester Formula: C23H29F3N2O3 MolecularWeight: 438.48317

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COC)C(F)(F)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COC)C(F)(F)F

InChI

InChI=1S/C23H29F3N2O3/c1-3-4-5-6-7-8-9-17-14-27-21(28-15-17)18-10-12-19(13-11-18)22(29)31-20(16-30-2)23(24,25)26/h10-15,20H,3-9,16H2,1-2H3