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

Systemtic Name: [3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-decoxypyrimidin-2-yl)benzoate Openeye Name: [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-decoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-decoxy-2-pyrimidinyl)benzoic acid (3-butoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-butoxy-1,1,1-trifluoropropan-2-yl) 4-(5-decoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-decoxypyrimidin-2-yl)benzoic acid [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C28H39F3N2O4 MolecularWeight: 524.61547

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COCCCC)C(F)(F)F

InChI

InChI=1S/C28H39F3N2O4/c1-3-5-7-8-9-10-11-12-18-36-24-19-32-26(33-20-24)22-13-15-23(16-14-22)27(34)37-25(28(29,30)31)21-35-17-6-4-2/h13-16,19-20,25H,3-12,17-18,21H2,1-2H3