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

Systemtic Name: 4-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethyl-butanoic acid Openeye Name: 4-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethyl-butanoic acid CAS Name: 4-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2,2-dimethylbutanoic acid IUPAC Name: 4-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethylbutanoic acid Traditional Name: 4-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-2,2-dimethyl-butyric acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CC(C)(CCN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C23H27N3O3/c1-23(2,22(27)28)11-12-25-13-15-26(16-14-25)21-17-7-3-5-9-19(17)29-20-10-6-4-8-18(20)24-21/h3-10H,11-16H2,1-2H3,(H,27,28)