methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCCCO3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCCCO3)OC

InChI

InChI=1S/C20H21NO7/c1-24-16-10-13(20(23)26-3)14(11-17(16)25-2)21-19(22)12-5-6-15-18(9-12)28-8-4-7-27-15/h5-6,9-11H,4,7-8H2,1-3H3,(H,21,22)