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

Systemtic Name: 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]-6-piperazin-1-yl-hexanoic acid Openeye Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-6-piperazin-1-yl-hexanoic acid CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]amino]-6-(1-piperazinyl)hexanoic acid IUPAC Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-6-piperazin-1-ylhexanoic acid Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-6-piperazino-hexanoic acid Formula: C21H30N4O6 MolecularWeight: 434.4861

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCN3CCNCC3)C(=O)O

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCN3CCNCC3)C(=O)O

InChI

InChI=1S/C21H30N4O6/c26-19-8-14-30-18-7-2-1-6-17(18)25(19)15-20(27)31-23-16(21(28)29)5-3-4-11-24-12-9-22-10-13-24/h1-2,6-7,16,22-23H,3-5,8-15H2,(H,28,29)