ethyl 1-[4-[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]butanoyl]piperidine-3-carboxylate CAS Name: 1-[4-[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]-1-oxobutyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]butanoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)butanoyl]nipecotic acid ethyl ester Formula: C25H36N2O5 MolecularWeight: 444.56374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C25H36N2O5/c1-5-25(3,4)19-11-12-21-20(15-19)27(23(29)17-32-21)14-8-10-22(28)26-13-7-9-18(16-26)24(30)31-6-2/h11-12,15,18H,5-10,13-14,16-17H2,1-4H3