3-[2-(4-methylphenyl)carbonyl-5-oxidanyl-1-benzofuran-3-yl]propanoic acid

Systemtic Name: 3-[2-(4-methylphenyl)carbonyl-5-oxidanyl-1-benzofuran-3-yl]propanoic acid Openeye Name: 3-[5-hydroxy-2-(4-methylbenzoyl)benzofuran-3-yl]propanoic acid CAS Name: 3-[5-hydroxy-2-[(4-methylphenyl)-oxomethyl]-3-benzofuranyl]propanoic acid IUPAC Name: 3-[5-hydroxy-2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanoic acid Traditional Name: 3-(5-hydroxy-2-p-toluoyl-benzofuran-3-yl)propionic acid Formula: C19H16O5 MolecularWeight: 324.32734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)O)CCC(=O)O

InChI

InChI=1S/C19H16O5/c1-11-2-4-12(5-3-11)18(23)19-14(7-9-17(21)22)15-10-13(20)6-8-16(15)24-19/h2-6,8,10,20H,7,9H2,1H3,(H,21,22)