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

Systemtic Name: 8-(dibutylamino)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]octanoic acid Openeye Name: 8-(dibutylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]octanoic acid CAS Name: 8-(dibutylamino)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]amino]octanoic acid IUPAC Name: 8-(dibutylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]octanoic acid Traditional Name: 8-(dibutylamino)-2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]caprylic acid Formula: C27H43N3O6 MolecularWeight: 505.64682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCCCCC(C(=O)O)NOC(=O)CN1C(=O)CCOC2=CC=CC=C21

Isomeric SMILES

CCCCN(CCCC)CCCCCCC(C(=O)O)NOC(=O)CN1C(=O)CCOC2=CC=CC=C21

InChI

InChI=1S/C27H43N3O6/c1-3-5-17-29(18-6-4-2)19-12-8-7-9-13-22(27(33)34)28-36-26(32)21-30-23-14-10-11-15-24(23)35-20-16-25(30)31/h10-11,14-15,22,28H,3-9,12-13,16-21H2,1-2H3,(H,33,34)