[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(2-phenoxyethoxy)benzoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(2-phenoxyethoxy)benzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(2-phenoxyethoxy)benzoate CAS Name: 2-(2-phenoxyethoxy)benzoic 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-(2-phenoxyethoxy)benzoate Traditional Name: 2-(2-phenoxyethoxy)benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C26H25NO7 MolecularWeight: 463.4792

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4)OC1

InChI

InChI=1S/C26H25NO7/c28-25(27-19-11-12-23-24(17-19)32-14-6-13-31-23)18-34-26(29)21-9-4-5-10-22(21)33-16-15-30-20-7-2-1-3-8-20/h1-5,7-12,17H,6,13-16,18H2,(H,27,28)