[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(2-chloranyl-5-methyl-phenoxy)ethanoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(2-chloranyl-5-methyl-phenoxy)ethanoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-(2-chloro-5-methyl-phenoxy)acetate CAS Name: 2-(2-chloro-5-methylphenoxy)acetic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate Traditional Name: 2-(2-chloro-5-methyl-phenoxy)acetic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C17H21ClN2O4 MolecularWeight: 352.81264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(=O)OCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C17H21ClN2O4/c1-11(2)17(4,10-19)20-15(21)8-24-16(22)9-23-14-7-12(3)5-6-13(14)18/h5-7,11H,8-9H2,1-4H3,(H,20,21)/t17-/m1/s1