ethyl 4-[5-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]furan-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]furan-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-[[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-2-furanyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-[(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)methyl]-2-furoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(O3)C(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(O3)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C26H33N3O6/c1-5-26(3,4)18-7-9-21-20(15-18)29(23(30)17-34-21)16-19-8-10-22(35-19)24(31)27-11-13-28(14-12-27)25(32)33-6-2/h7-10,15H,5-6,11-14,16-17H2,1-4H3