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

Systemtic Name: 2-[2-(5-bromanyl-2-ethoxy-phenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-2-ethoxy-phenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(5-bromo-2-ethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(5-bromo-2-ethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(5-bromo-2-ethoxy-phenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid Formula: C19H15BrF3NO4 MolecularWeight: 458.22591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CC(=O)O

InChI

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