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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=CC=[N+]3[O-]

InChI

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