3-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-5-methoxy-indol-3-yl]propanoic acid

Systemtic Name: 3-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-5-methoxy-indol-3-yl]propanoic acid Openeye Name: 3-[1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-5-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-5-methoxyindol-3-yl]propanoic acid Traditional Name: 3-(1-coumaran-5-ylsulfonyl-5-methoxy-indol-3-yl)propionic acid Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H19NO6S/c1-26-15-3-5-18-17(11-15)14(2-7-20(22)23)12-21(18)28(24,25)16-4-6-19-13(10-16)8-9-27-19/h3-6,10-12H,2,7-9H2,1H3,(H,22,23)