[(2R)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-(4-benzyloxyanilino)-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-(4-benzoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C22H20N2O5/c1-16(29-22(26)18-11-13-24(27)14-12-18)21(25)23-19-7-9-20(10-8-19)28-15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,23,25)/t16-/m1/s1