[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(6-hydroxybenzofuran-3-yl)acetate CAS Name: 2-(6-hydroxy-3-benzofuranyl)acetic 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] 2-(6-hydroxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-hydroxybenzofuran-3-yl)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CC3=COC4=C3C=CC(=C4)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CC3=COC4=C3C=CC(=C4)O)OC1

InChI

InChI=1S/C21H19NO7/c23-15-3-4-16-13(11-28-18(16)10-15)8-21(25)29-12-20(24)22-14-2-5-17-19(9-14)27-7-1-6-26-17/h2-5,9-11,23H,1,6-8,12H2,(H,22,24)