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

Systemtic Name: methyl 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethoxy]benzoate CAS Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]benzoate Traditional Name: 3-[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(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6/c1-23-19(22)13-4-2-5-15(10-13)26-12-18(21)20-14-6-7-16-17(11-14)25-9-3-8-24-16/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,20,21)