methyl 4-[2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C21H20N2O7/c1-28-21(27)14-6-8-15(9-7-14)22-18(24)13-30-20(26)12-23-16-4-2-3-5-17(16)29-11-10-19(23)25/h2-9H,10-13H2,1H3,(H,22,24)