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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-methoxy-propan-2-yl] 4-(5-octylpyridin-2-yl)benzoate Openeye Name: [2,2,2-trifluoro-1-(methoxymethyl)ethyl] 4-(5-octyl-2-pyridyl)benzoate CAS Name: 4-(5-octyl-2-pyridinyl)benzoic acid (1,1,1-trifluoro-3-methoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-methoxypropan-2-yl) 4-(5-octylpyridin-2-yl)benzoate Traditional Name: 4-(5-octyl-2-pyridyl)benzoic acid [2,2,2-trifluoro-1-(methoxymethyl)ethyl] ester Formula: C24H30F3NO3 MolecularWeight: 437.49511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30F3NO3/c1-3-4-5-6-7-8-9-18-10-15-21(28-16-18)19-11-13-20(14-12-19)23(29)31-22(17-30-2)24(25,26)27/h10-16,22H,3-9,17H2,1-2H3