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

Systemtic Name: [3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-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-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C24H31F3N2O3 MolecularWeight: 452.50975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31F3N2O3/c1-3-5-7-8-9-18-15-28-22(29-16-18)19-10-12-20(13-11-19)23(30)32-21(24(25,26)27)17-31-14-6-4-2/h10-13,15-16,21H,3-9,14,17H2,1-2H3