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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-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-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C23H29F3N2O3 MolecularWeight: 438.48317

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COCCC)C(F)(F)F

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COCCC)C(F)(F)F

InChI

InChI=1S/C23H29F3N2O3/c1-3-5-6-7-8-17-14-27-21(28-15-17)18-9-11-19(12-10-18)22(29)31-20(23(24,25)26)16-30-13-4-2/h9-12,14-15,20H,3-8,13,16H2,1-2H3