3-[2-(4-cyanophenyl)carbonyl-6-methoxy-1-benzofuran-3-yl]propanoic acid

Systemtic Name: 3-[2-(4-cyanophenyl)carbonyl-6-methoxy-1-benzofuran-3-yl]propanoic acid Openeye Name: 3-[2-(4-cyanobenzoyl)-6-methoxy-benzofuran-3-yl]propanoic acid CAS Name: 3-[2-[(4-cyanophenyl)-oxomethyl]-6-methoxy-3-benzofuranyl]propanoic acid IUPAC Name: 3-[2-(4-cyanobenzoyl)-6-methoxy-1-benzofuran-3-yl]propanoic acid Traditional Name: 3-[2-(4-cyanobenzoyl)-6-methoxy-benzofuran-3-yl]propionic acid Formula: C20H15NO5 MolecularWeight: 349.3368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)C#N)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)C#N)CCC(=O)O

InChI

InChI=1S/C20H15NO5/c1-25-14-6-7-15-16(8-9-18(22)23)20(26-17(15)10-14)19(24)13-4-2-12(11-21)3-5-13/h2-7,10H,8-9H2,1H3,(H,22,23)