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

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-decoxypyridin-2-yl)benzoate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-decoxy-2-pyridyl)benzoate CAS Name: 4-(5-decoxy-2-pyridinyl)benzoic acid (3-ethoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-ethoxy-1,1,1-trifluoropropan-2-yl) 4-(5-decoxypyridin-2-yl)benzoate Traditional Name: 4-(5-decoxy-2-pyridyl)benzoic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C27H36F3NO4 MolecularWeight: 495.57425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCC)C(F)(F)F

InChI

InChI=1S/C27H36F3NO4/c1-3-5-6-7-8-9-10-11-18-34-23-16-17-24(31-19-23)21-12-14-22(15-13-21)26(32)35-25(20-33-4-2)27(28,29)30/h12-17,19,25H,3-11,18,20H2,1-2H3