4-(oxan-4-yl)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]butanoic acid

Systemtic Name: 4-(oxan-4-yl)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]butanoic acid Openeye Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-4-tetrahydropyran-4-yl-butanoic acid CAS Name: 4-(4-oxanyl)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]amino]butanoic acid IUPAC Name: 4-(oxan-4-yl)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]butanoic acid Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-4-tetrahydropyran-4-yl-butyric acid Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CCC(C(=O)O)NOC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

C1COCCC1CCC(C(=O)O)NOC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C20H26N2O7/c23-18-9-12-28-17-4-2-1-3-16(17)22(18)13-19(24)29-21-15(20(25)26)6-5-14-7-10-27-11-8-14/h1-4,14-15,21H,5-13H2,(H,25,26)