[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 5-(phenoxymethyl)furan-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 5-(phenoxymethyl)furan-2-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 5-(phenoxymethyl)furan-2-carboxylate CAS Name: 5-(phenoxymethyl)-2-furancarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate Traditional Name: 5-(phenoxymethyl)furan-2-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C23H21NO7 MolecularWeight: 423.41534

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=C(O3)COC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=C(O3)COC4=CC=CC=C4)OC1

InChI

InChI=1S/C23H21NO7/c25-22(24-16-7-9-19-21(13-16)28-12-4-11-27-19)15-30-23(26)20-10-8-18(31-20)14-29-17-5-2-1-3-6-17/h1-3,5-10,13H,4,11-12,14-15H2,(H,24,25)