(5-methoxycarbonylfuran-2-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: (5-methoxycarbonylfuran-2-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: (5-methoxycarbonyl-2-furyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonylfuran-2-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (5-carbomethoxy-2-furyl)methyl ester Formula: C17H16O7 MolecularWeight: 332.30474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H16O7/c1-20-17(19)14-6-4-12(24-14)10-23-16(18)11-3-5-13-15(9-11)22-8-2-7-21-13/h3-6,9H,2,7-8,10H2,1H3