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

Systemtic Name: 2-[7-(4-hexoxyphenyl)carbonyl-6-methoxy-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[7-(4-hexoxybenzoyl)-6-methoxy-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[7-[(4-hexoxyphenyl)-oxomethyl]-6-methoxy-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[7-(4-hexoxybenzoyl)-6-methoxy-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[7-(4-hexoxybenzoyl)-6-methoxy-coumaran-5-yl]propionic acid Formula: C25H30O6 MolecularWeight: 426.5021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2OC)C(C)C(=O)O)CCO3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2OC)C(C)C(=O)O)CCO3

InChI

InChI=1S/C25H30O6/c1-4-5-6-7-13-30-19-10-8-17(9-11-19)22(26)21-23-18(12-14-31-23)15-20(24(21)29-3)16(2)25(27)28/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,27,28)