3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)propanoic acid

Systemtic Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)propanoic acid Openeye Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)propanoic acid CAS Name: 3-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)propanoic acid Traditional Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)propionic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C2=NC3=CC=CC=C3OC4=CC=CC=C42

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C2=NC3=CC=CC=C3OC4=CC=CC=C42

InChI

InChI=1S/C20H21N3O3/c24-19(25)9-10-22-11-13-23(14-12-22)20-15-5-1-3-7-17(15)26-18-8-4-2-6-16(18)21-20/h1-8H,9-14H2,(H,24,25)