[2-butanoyloxy-3,3,3-tris(fluoranyl)propyl] 4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: [2-butanoyloxy-3,3,3-tris(fluoranyl)propyl] 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (2-butanoyloxy-3,3,3-trifluoro-propyl) 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid [3,3,3-trifluoro-2-(1-oxobutoxy)propyl] ester IUPAC Name: (2-butanoyloxy-3,3,3-trifluoropropyl) 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid (2-butyryloxy-3,3,3-trifluoro-propyl) ester Formula: C24H29F3N2O4 MolecularWeight: 466.49327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29F3N2O4/c1-3-5-6-7-9-17-14-28-22(29-15-17)18-10-12-19(13-11-18)23(31)32-16-20(24(25,26)27)33-21(30)8-4-2/h10-15,20H,3-9,16H2,1-2H3