ethanol; 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]propanoic acid

Systemtic Name: ethanol; 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]propanoic acid Openeye Name: ethanol; 2-(3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl)oxypropanoic acid CAS Name: ethanol; 2-[(3-ethoxycarbonyl-2-phenyl-5-benzofuranyl)oxy]propanoic acid IUPAC Name: ethanol; 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]propanoic acid Traditional Name: 2-(3-carbethoxy-2-phenyl-benzofuran-5-yl)oxypropionic acid; ethanol Formula: C22H24O7 MolecularWeight: 400.42176

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCO.CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H18O6.C2H6O/c1-3-24-20(23)17-15-11-14(25-12(2)19(21)22)9-10-16(15)26-18(17)13-7-5-4-6-8-13;1-2-3/h4-12H,3H2,1-2H3,(H,21,22);3H,2H2,1H3