2-[7-(4-methylphenyl)carbonyl-6-oxidanyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 2-[7-(4-methylphenyl)carbonyl-6-oxidanyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[6-hydroxy-7-(4-methylbenzoyl)-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[6-hydroxy-7-[(4-methylphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[6-hydroxy-7-(4-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-(6-hydroxy-7-p-toluoyl-coumaran-5-yl)propionic acid Formula: C19H18O5 MolecularWeight: 326.34322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2O)C(C)C(=O)O)CCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2O)C(C)C(=O)O)CCO3

InChI

InChI=1S/C19H18O5/c1-10-3-5-12(6-4-10)16(20)15-17(21)14(11(2)19(22)23)9-13-7-8-24-18(13)15/h3-6,9,11,21H,7-8H2,1-2H3,(H,22,23)