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

Systemtic Name: 2-[2-(3,4-diethoxyphenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(3,4-diethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(3,4-diethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(3,4-diethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(3,4-diethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid Formula: C21H20F3NO5 MolecularWeight: 423.38241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3NO5/c1-3-28-17-8-5-12(9-18(17)29-4-2)20-15(11-19(26)27)14-10-13(30-21(22,23)24)6-7-16(14)25-20/h5-10,25H,3-4,11H2,1-2H3,(H,26,27)