[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)[C@H](C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H23NO5/c1-14-9-10-15(2)18(11-14)19(23)12-27-21(25)16(3)22-20(24)13-26-17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,22,24)/t16-/m0/s1