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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 4-(5-octyl-2-pyrimidinyl)benzoic acid (1,1,1-trifluoro-3-propoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-propoxypropan-2-yl) 4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-octylpyrimidin-2-yl)benzoic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C25H33F3N2O3 MolecularWeight: 466.53633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33F3N2O3/c1-3-5-6-7-8-9-10-19-16-29-23(30-17-19)20-11-13-21(14-12-20)24(31)33-22(25(26,27)28)18-32-15-4-2/h11-14,16-17,22H,3-10,15,18H2,1-2H3