[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(4-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(4-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H25ClN2O4/c1-14(2)21(25-19(26)12-16-7-5-4-6-8-16)22(28)29-13-20(27)24-18-10-9-17(23)11-15(18)3/h4-11,14,21H,12-13H2,1-3H3,(H,24,27)(H,25,26)/t21-/m0/s1