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

Systemtic Name: methyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethoxy]benzoate CAS Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]benzoate Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethoxy]benzoic acid methyl ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H19NO6/c1-23-19(22)13-3-6-15(7-4-13)26-12-18(21)20-14-5-8-16-17(11-14)25-10-2-9-24-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,21)