tert-butyl 2-methyl-2-[2-(2-oxidanylidene-1,5-dihydro-4,1-benzoxazepin-3-yl)ethanoyl-phenyl-amino]propanoate

Systemtic Name: tert-butyl 2-methyl-2-[2-(2-oxidanylidene-1,5-dihydro-4,1-benzoxazepin-3-yl)ethanoyl-phenyl-amino]propanoate Openeye Name: tert-butyl 2-methyl-2-(N-[2-(2-oxo-1,5-dihydro-4,1-benzoxazepin-3-yl)acetyl]anilino)propanoate CAS Name: 2-methyl-2-(N-[1-oxo-2-(2-oxo-1,5-dihydro-4,1-benzoxazepin-3-yl)ethyl]anilino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-2-(N-[2-(2-oxo-1,5-dihydro-4,1-benzoxazepin-3-yl)acetyl]anilino)propanoate Traditional Name: 2-(N-[2-(2-keto-1,5-dihydro-4,1-benzoxazepin-3-yl)acetyl]anilino)-2-methyl-propionic acid tert-butyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)N(C1=CC=CC=C1)C(=O)CC2C(=O)NC3=CC=CC=C3CO2

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)N(C1=CC=CC=C1)C(=O)CC2C(=O)NC3=CC=CC=C3CO2

InChI

InChI=1S/C25H30N2O5/c1-24(2,3)32-23(30)25(4,5)27(18-12-7-6-8-13-18)21(28)15-20-22(29)26-19-14-10-9-11-17(19)16-31-20/h6-14,20H,15-16H2,1-5H3,(H,26,29)