[(1S)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(1S)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1S)-2-keto-2-(o-phenetidino)-1-phenyl-ethyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C22H20N2O5/c1-2-28-19-11-7-6-10-18(19)23-21(25)20(16-8-4-3-5-9-16)29-22(26)17-12-14-24(27)15-13-17/h3-15,20H,2H2,1H3,(H,23,25)/t20-/m0/s1