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

Systemtic Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethyl-propanoic acid Openeye Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethyl-propanoic acid CAS Name: 3-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethylpropanoic acid Traditional Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-2,2-dimethyl-propionic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CC(C)(CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C22H25N3O3/c1-22(2,21(26)27)15-24-11-13-25(14-12-24)20-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)23-20/h3-10H,11-15H2,1-2H3,(H,26,27)