[(1R)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(1R)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=[N+](C=C3)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=[N+](C=C3)[O-])C

InChI

InChI=1S/C22H20N2O4/c1-15-12-16(2)14-19(13-15)23-21(25)20(17-6-4-3-5-7-17)28-22(26)18-8-10-24(27)11-9-18/h3-14,20H,1-2H3,(H,23,25)/t20-/m1/s1