2-tert-butyl-4-(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-10-yl)piperazine-1-carboxylic acid

Systemtic Name: 2-tert-butyl-4-(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-10-yl)piperazine-1-carboxylic acid Openeye Name: 2-tert-butyl-4-(6-oxo-5H-benzo[b][1,4]benzoxazepin-10-yl)piperazine-1-carboxylic acid CAS Name: 2-tert-butyl-4-(6-oxo-5H-benzo[b][1,4]benzoxazepin-10-yl)-1-piperazinecarboxylic acid IUPAC Name: 2-tert-butyl-4-(6-oxo-5H-benzo[b][1,4]benzoxazepin-10-yl)piperazine-1-carboxylic acid Traditional Name: 2-tert-butyl-4-(6-keto-5H-benzo[b][1,4]benzoxazepin-10-yl)piperazine-1-carboxylic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)O)C2=CC=CC3=C2OC4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)O)C2=CC=CC3=C2OC4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H25N3O4/c1-22(2,3)18-13-24(11-12-25(18)21(27)28)16-9-6-7-14-19(16)29-17-10-5-4-8-15(17)23-20(14)26/h4-10,18H,11-13H2,1-3H3,(H,23,26)(H,27,28)