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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 4-(5-octylpyridin-2-yl)benzoate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 4-(5-octyl-2-pyridyl)benzoate CAS Name: 4-(5-octyl-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-octylpyridin-2-yl)benzoate Traditional Name: 4-(5-octyl-2-pyridyl)benzoic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C26H34F3NO3 MolecularWeight: 465.54827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34F3NO3/c1-3-5-6-7-8-9-10-20-11-16-23(30-18-20)21-12-14-22(15-13-21)25(31)33-24(26(27,28)29)19-32-17-4-2/h11-16,18,24H,3-10,17,19H2,1-2H3