2-[2-(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)ethanoyloxyamino]-3-(piperidin-4-ylmethoxy)propanoic acid

Systemtic Name: 2-[2-(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)ethanoyloxyamino]-3-(piperidin-4-ylmethoxy)propanoic acid Openeye Name: 2-[[2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetyl]oxyamino]-3-(4-piperidylmethoxy)propanoic acid CAS Name: 2-[[1-oxo-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)ethoxy]amino]-3-(4-piperidinylmethoxy)propanoic acid IUPAC Name: 2-[[2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetyl]oxyamino]-3-(piperidin-4-ylmethoxy)propanoic acid Traditional Name: 2-[[2-(2-keto-4,5-dihydro-3H-1-benzazepin-1-yl)acetyl]oxyamino]-3-(4-piperidylmethoxy)propionic acid Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1)CC(=O)ONC(COCC3CCNCC3)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1)CC(=O)ONC(COCC3CCNCC3)C(=O)O

InChI

InChI=1S/C21H29N3O6/c25-19-7-3-5-16-4-1-2-6-18(16)24(19)12-20(26)30-23-17(21(27)28)14-29-13-15-8-10-22-11-9-15/h1-2,4,6,15,17,22-23H,3,5,7-14H2,(H,27,28)