[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]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-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4)OC1

InChI

InChI=1S/C25H21NO6/c27-23(26-18-7-9-20-22(13-18)30-11-3-10-29-20)15-32-24(28)12-17-14-31-21-8-6-16-4-1-2-5-19(16)25(17)21/h1-2,4-9,13-14H,3,10-12,15H2,(H,26,27)