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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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