[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-(5-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(5-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H24ClN3O4/c1-13(2)19(25-21(28)23-16-7-5-4-6-8-16)20(27)29-12-18(26)24-17-11-15(22)10-9-14(17)3/h4-11,13,19H,12H2,1-3H3,(H,24,26)(H2,23,25,28)/t19-/m0/s1