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

Systemtic Name: methyl 4-[[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5/c1-26-20(25)15-8-6-14(7-9-15)12-21-18(23)13-22-16-4-2-3-5-17(16)27-11-10-19(22)24/h2-9H,10-13H2,1H3,(H,21,23)