[2-oxidanylidene-2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[2-[oxo-[[(1R)-1-phenylethyl]amino]methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C23H21N3O5/c1-16(17-7-3-2-4-8-17)24-22(28)19-9-5-6-10-20(19)25-21(27)15-31-23(29)18-11-13-26(30)14-12-18/h2-14,16H,15H2,1H3,(H,24,28)(H,25,27)/t16-/m1/s1