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

Systemtic Name: 2-[7-(4-hexoxyphenyl)carbonyl-6-oxidanyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[7-(4-hexoxybenzoyl)-6-hydroxy-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[7-[(4-hexoxyphenyl)-oxomethyl]-6-hydroxy-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[7-(4-hexoxybenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[7-(4-hexoxybenzoyl)-6-hydroxy-coumaran-5-yl]propionic acid Formula: C24H28O6 MolecularWeight: 412.47552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2O)C(C)C(=O)O)CCO3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2O)C(C)C(=O)O)CCO3

InChI

InChI=1S/C24H28O6/c1-3-4-5-6-12-29-18-9-7-16(8-10-18)21(25)20-22(26)19(15(2)24(27)28)14-17-11-13-30-23(17)20/h7-10,14-15,26H,3-6,11-13H2,1-2H3,(H,27,28)