ethyl 9-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]nonanoate dihydrochloride

Systemtic Name: ethyl 9-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]nonanoate dihydrochloride Openeye Name: ethyl 9-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]nonanoate dihydrochloride CAS Name: 9-amino-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]amino]nonanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 9-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]nonanoate dihydrochloride Traditional Name: 9-amino-2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]pelargonic acid ethyl ester dihydrochloride Formula: C22H35Cl2N3O6 MolecularWeight: 508.4358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCCN)NOC(=O)CN1C(=O)CCOC2=CC=CC=C21.Cl.Cl

Isomeric SMILES

CCOC(=O)C(CCCCCCCN)NOC(=O)CN1C(=O)CCOC2=CC=CC=C21.Cl.Cl

InChI

InChI=1S/C22H33N3O6.2ClH/c1-2-29-22(28)17(10-6-4-3-5-9-14-23)24-31-21(27)16-25-18-11-7-8-12-19(18)30-15-13-20(25)26;;/h7-8,11-12,17,24H,2-6,9-10,13-16,23H2,1H3;2*1H