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

Systemtic Name: ethyl 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]oxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,4-dioxobutoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butanoyl]oxymethyl]coumarilic acid ethyl ester Formula: C25H24O8 MolecularWeight: 452.45326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H24O8/c1-2-29-25(28)24-18(17-6-3-4-7-20(17)33-24)15-32-23(27)11-9-19(26)16-8-10-21-22(14-16)31-13-5-12-30-21/h3-4,6-8,10,14H,2,5,9,11-13,15H2,1H3