2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid Formula: C19H15BrF3NO5 MolecularWeight: 474.22531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CC(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CC(=O)O)Br)OC

InChI

InChI=1S/C19H15BrF3NO5/c1-27-15-6-12(13(20)8-16(15)28-2)18-11(7-17(25)26)10-5-9(29-19(21,22)23)3-4-14(10)24-18/h3-6,8,24H,7H2,1-2H3,(H,25,26)