[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 7-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-fluoro-3-methyl-2-benzofurancarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-fluoro-3-methyl-coumarilic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C21H17FO6 MolecularWeight: 384.354483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H17FO6/c1-12-14-4-2-5-15(22)20(14)28-19(12)21(24)27-11-16(23)13-6-7-17-18(10-13)26-9-3-8-25-17/h2,4-7,10H,3,8-9,11H2,1H3