[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5/c1-14(2)20(24-19(26)12-28-17-9-4-3-5-10-17)21(27)29-13-18(25)23-16-8-6-7-15(22)11-16/h3-11,14,20H,12-13H2,1-2H3,(H,23,25)(H,24,26)/t20-/m0/s1