ethyl 1-[3-[(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(3-keto-6-methyl-1,4-benzoxazin-4-yl)methyl]benzoyl]isonipecotic acid ethyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5/c1-3-31-25(30)19-9-11-26(12-10-19)24(29)20-6-4-5-18(14-20)15-27-21-13-17(2)7-8-22(21)32-16-23(27)28/h4-8,13-14,19H,3,9-12,15-16H2,1-2H3