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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CN3C(=O)COC4=C3C=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CN3C(=O)COC4=C3C=C(C=C4)C

InChI

InChI=1S/C25H28N2O5/c1-3-31-25(30)20-5-4-12-26(15-20)24(29)19-9-7-18(8-10-19)14-27-21-13-17(2)6-11-22(21)32-16-23(27)28/h6-11,13,20H,3-5,12,14-16H2,1-2H3