ethyl 1-[[2-[(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-1,3-oxazol-4-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-[(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-1,3-oxazol-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]oxazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-4-oxazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-keto-6-methyl-1,4-benzoxazin-4-yl)methyl]oxazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=COC(=N2)CN3C(=O)COC4=C3C=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=COC(=N2)CN3C(=O)COC4=C3C=C(C=C4)C

InChI

InChI=1S/C22H25N3O6/c1-3-29-22(28)15-6-8-24(9-7-15)21(27)16-12-31-19(23-16)11-25-17-10-14(2)4-5-18(17)30-13-20(25)26/h4-5,10,12,15H,3,6-9,11,13H2,1-2H3