2-[2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-7-fluoranyl-2,3-dihydro-1-benzofuran-5-yl]ethanoate

Systemtic Name: 2-[2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-7-fluoranyl-2,3-dihydro-1-benzofuran-5-yl]ethanoate Openeye Name: 2-[2-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-7-fluoro-2,3-dihydrobenzofuran-5-yl]acetate CAS Name: 2-[2-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-fluoro-2,3-dihydrobenzofuran-5-yl]acetate IUPAC Name: 2-[2-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]acetate Traditional Name: 2-[2-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-7-fluoro-coumaran-5-yl]acetate Formula: C22H22FO6- MolecularWeight: 401.404883

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2CC3=CC(=CC(=C3O2)F)CC(=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2CC3=CC(=CC(=C3O2)F)CC(=O)[O-]

InChI

InChI=1S/C22H23FO6/c1-3-4-17-19(6-5-16(12(2)24)21(17)27)28-11-15-10-14-7-13(9-20(25)26)8-18(23)22(14)29-15/h5-8,15,27H,3-4,9-11H2,1-2H3,(H,25,26)/p-1