2-[1-(2-azanyloxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(2-piperidin-4-ylethoxy)propanoic acid

Systemtic Name: 2-[1-(2-azanyloxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(2-piperidin-4-ylethoxy)propanoic acid Openeye Name: 2-[1-(2-aminooxy-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[2-(4-piperidyl)ethoxy]propanoic acid CAS Name: 2-[1-(2-aminooxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[2-(4-piperidinyl)ethoxy]propanoic acid IUPAC Name: 2-[1-(2-aminooxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(2-piperidin-4-ylethoxy)propanoic acid Traditional Name: 2-[1-(2-aminooxy-2-keto-ethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[2-(4-piperidyl)ethoxy]propionic acid Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1C(COCCC3CCNCC3)C(=O)O)CC(=O)ON

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1C(COCCC3CCNCC3)C(=O)O)CC(=O)ON

InChI

InChI=1S/C22H31N3O6/c23-31-20(26)13-25-19-4-2-1-3-16(19)5-6-17(21(25)27)18(22(28)29)14-30-12-9-15-7-10-24-11-8-15/h1-4,15,17-18,24H,5-14,23H2,(H,28,29)