ethyl 4-[2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H29N3O5/c1-5-28-20(27)23-10-8-22(9-11-23)18(25)13-24-16-12-15(21(2,3)4)6-7-17(16)29-14-19(24)26/h6-7,12H,5,8-11,13-14H2,1-4H3