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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=C(C=C1)NC(=O)C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)NC(=O)C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6/c1-14(22-19(26)12-29-18-6-4-3-5-7-18)21(28)30-13-20(27)24-17-10-8-16(9-11-17)23-15(2)25/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t14-/m0/s1