[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(C=C1)NC(=O)C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)NC(=O)C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O6/c1-14(22-20(26)13-28-18-6-4-3-5-7-18)21(27)29-12-19(25)16-8-10-17(11-9-16)23-15(2)24/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H,23,24)/t14-/m0/s1