8-(dimethylamino)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]octanoic acid

Systemtic Name: 8-(dimethylamino)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]octanoic acid Openeye Name: 8-(dimethylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]octanoic acid CAS Name: 8-(dimethylamino)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]amino]octanoic acid IUPAC Name: 8-(dimethylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]octanoic acid Traditional Name: 8-(dimethylamino)-2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]caprylic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCCC(C(=O)O)NOC(=O)CN1C(=O)CCOC2=CC=CC=C21

Isomeric SMILES

CN(C)CCCCCCC(C(=O)O)NOC(=O)CN1C(=O)CCOC2=CC=CC=C21

InChI

InChI=1S/C21H31N3O6/c1-23(2)13-8-4-3-5-9-16(21(27)28)22-30-20(26)15-24-17-10-6-7-11-18(17)29-14-12-19(24)25/h6-7,10-11,16,22H,3-5,8-9,12-15H2,1-2H3,(H,27,28)