3-[3-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-2-pyrrol-1-yl-propanoic acid

Systemtic Name: 3-[3-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-2-pyrrol-1-yl-propanoic acid Openeye Name: 3-[3-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-2-pyrrol-1-yl-propanoic acid CAS Name: 3-[3-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-2-(1-pyrrolyl)propanoic acid IUPAC Name: 3-[3-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-2-pyrrol-1-ylpropanoic acid Traditional Name: 3-(3-methoxy-4-triflyloxy-phenyl)-2-pyrrol-1-yl-propionic acid Formula: C15H14F3NO6S MolecularWeight: 393.33497

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(C(=O)O)N2C=CC=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CC(C(=O)O)N2C=CC=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H14F3NO6S/c1-24-13-9-10(8-11(14(20)21)19-6-2-3-7-19)4-5-12(13)25-26(22,23)15(16,17)18/h2-7,9,11H,8H2,1H3,(H,20,21)