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

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 4-(5-octyl-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-octylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-octylpyrimidin-2-yl)benzoic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C24H31F3N2O3 MolecularWeight: 452.50975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31F3N2O3/c1-3-5-6-7-8-9-10-18-15-28-22(29-16-18)19-11-13-20(14-12-19)23(30)32-21(17-31-4-2)24(25,26)27/h11-16,21H,3-10,17H2,1-2H3