2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)-7-(trifluoromethyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)-7-(trifluoromethyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-7-(trifluoromethyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-7-(trifluoromethyl)-1H-indol-3-yl]acetic acid Formula: C19H15BrF3NO4 MolecularWeight: 458.22591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrF3NO4/c1-27-14-6-11(13(20)8-15(14)28-2)17-10(7-16(25)26)9-4-3-5-12(18(9)24-17)19(21,22)23/h3-6,8,24H,7H2,1-2H3,(H,25,26)