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

Systemtic Name: 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]-6-(4-phenylpiperazin-1-yl)hexanoic acid Openeye Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-6-(4-phenylpiperazin-1-yl)hexanoic acid CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]amino]-6-(4-phenyl-1-piperazinyl)hexanoic acid IUPAC Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-6-(4-phenylpiperazin-1-yl)hexanoic acid Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-6-(4-phenylpiperazino)hexanoic acid Formula: C27H34N4O6 MolecularWeight: 510.58206

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCN3CCN(CC3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCN3CCN(CC3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H34N4O6/c32-25-13-19-36-24-12-5-4-11-23(24)31(25)20-26(33)37-28-22(27(34)35)10-6-7-14-29-15-17-30(18-16-29)21-8-2-1-3-9-21/h1-5,8-9,11-12,22,28H,6-7,10,13-20H2,(H,34,35)