6-(4-methylpiperazin-1-yl)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]hexanoic acid

Systemtic Name: 6-(4-methylpiperazin-1-yl)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]hexanoic acid Openeye Name: 6-(4-methylpiperazin-1-yl)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]hexanoic acid CAS Name: 6-(4-methyl-1-piperazinyl)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]amino]hexanoic acid IUPAC Name: 6-(4-methylpiperazin-1-yl)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]hexanoic acid Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-6-(4-methylpiperazino)hexanoic acid Formula: C22H32N4O6 MolecularWeight: 448.51268

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCC(C(=O)O)NOC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

CN1CCN(CC1)CCCCC(C(=O)O)NOC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C22H32N4O6/c1-24-11-13-25(14-12-24)10-5-4-6-17(22(29)30)23-32-21(28)16-26-18-7-2-3-8-19(18)31-15-9-20(26)27/h2-3,7-8,17,23H,4-6,9-16H2,1H3,(H,29,30)