3-[4-(3-fluoranylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-(3-fluoranylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-(3-fluorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[4-(3-fluoro-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-(3-fluorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[4-(3-fluorobenzo[b][1,4]benzoxazepin-6-yl)piperazino]-2,2-dimethyl-propionic acid Formula: C22H24FN3O3 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C2=NC3=C(C=CC(=C3)F)OC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CC(C)(CN1CCN(CC1)C2=NC3=C(C=CC(=C3)F)OC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C22H24FN3O3/c1-22(2,21(27)28)14-25-9-11-26(12-10-25)20-16-5-3-4-6-18(16)29-19-8-7-15(23)13-17(19)24-20/h3-8,13H,9-12,14H2,1-2H3,(H,27,28)