[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4/c25-21(16-28-22(26)19-11-13-24(27)14-12-19)23-20(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,20H,15-16H2,(H,23,25)/t20-/m1/s1