4-[2-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethyl]-2,3-dihydro-1-benzofuran-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethyl]-2,3-dihydro-1-benzofuran-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethyl]-2,3-dihydrobenzofuran-5-yl]-4-oxo-butanoic acid CAS Name: 4-[2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]-2,3-dihydrobenzofuran-5-yl]-4-oxobutanoic acid IUPAC Name: 4-[2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-5-yl]-4-oxobutanoic acid Traditional Name: 4-[2-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethyl]coumaran-5-yl]-4-keto-butyric acid Formula: C25H28O7 MolecularWeight: 440.48562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC2CC3=C(O2)C=CC(=C3)C(=O)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC2CC3=C(O2)C=CC(=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C25H28O7/c1-3-4-20-23(9-6-19(15(2)26)25(20)30)31-12-11-18-14-17-13-16(5-8-22(17)32-18)21(27)7-10-24(28)29/h5-6,8-9,13,18,30H,3-4,7,10-12,14H2,1-2H3,(H,28,29)