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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 4-(5-hexylpyridin-2-yl)benzoate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 4-(5-hexyl-2-pyridyl)benzoate CAS Name: 4-(5-hexyl-2-pyridinyl)benzoic acid (1,1,1-trifluoro-3-propoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-propoxypropan-2-yl) 4-(5-hexylpyridin-2-yl)benzoate Traditional Name: 4-(5-hexyl-2-pyridyl)benzoic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C24H30F3NO3 MolecularWeight: 437.49511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30F3NO3/c1-3-5-6-7-8-18-9-14-21(28-16-18)19-10-12-20(13-11-19)23(29)31-22(24(25,26)27)17-30-15-4-2/h9-14,16,22H,3-8,15,17H2,1-2H3