3-[5-ethoxy-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-ethoxy-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-ethoxy-1-[3-(trifluoromethoxy)phenyl]sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-ethoxy-1-[3-(trifluoromethoxy)phenyl]sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-ethoxy-1-[3-(trifluoromethoxy)phenyl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-ethoxy-1-[3-(trifluoromethoxy)phenyl]sulfonyl-indol-3-yl]propionic acid Formula: C20H18F3NO6S MolecularWeight: 457.42023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

InChI

InChI=1S/C20H18F3NO6S/c1-2-29-14-7-8-18-17(11-14)13(6-9-19(25)26)12-24(18)31(27,28)16-5-3-4-15(10-16)30-20(21,22)23/h3-5,7-8,10-12H,2,6,9H2,1H3,(H,25,26)