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

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid (3-ethoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-ethoxy-1,1,1-trifluoropropan-2-yl) 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C22H27F3N2O3 MolecularWeight: 424.45659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27F3N2O3/c1-3-5-6-7-8-16-13-26-20(27-14-16)17-9-11-18(12-10-17)21(28)30-19(15-29-4-2)22(23,24)25/h9-14,19H,3-8,15H2,1-2H3