6-[3-(4-ethanoyl-3-prop-2-enoxy-2-propyl-phenoxy)propoxy]-7-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 6-[3-(4-ethanoyl-3-prop-2-enoxy-2-propyl-phenoxy)propoxy]-7-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 6-[3-(4-acetyl-3-allyloxy-2-propyl-phenoxy)propoxy]-7-methyl-benzofuran-2-carboxylic acid CAS Name: 6-[3-(4-acetyl-3-prop-2-enoxy-2-propylphenoxy)propoxy]-7-methyl-2-benzofurancarboxylic acid IUPAC Name: 6-[3-(4-acetyl-3-prop-2-enoxy-2-propylphenoxy)propoxy]-7-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 6-[3-(4-acetyl-3-allyloxy-2-propyl-phenoxy)propoxy]-7-methyl-coumarilic acid Formula: C27H30O7 MolecularWeight: 466.5229

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCC=C)C(=O)C)OCCCOC2=C(C3=C(C=C2)C=C(O3)C(=O)O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1OCC=C)C(=O)C)OCCCOC2=C(C3=C(C=C2)C=C(O3)C(=O)O)C

InChI

InChI=1S/C27H30O7/c1-5-8-21-23(12-10-20(18(4)28)26(21)33-13-6-2)32-15-7-14-31-22-11-9-19-16-24(27(29)30)34-25(19)17(22)3/h6,9-12,16H,2,5,7-8,13-15H2,1,3-4H3,(H,29,30)