[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-(4-bromanylphenoxy)propanoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] (2S)-2-(4-bromophenoxy)propanoate CAS Name: (2S)-2-(4-bromophenoxy)propanoic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate Traditional Name: (2S)-2-(4-bromophenoxy)propionic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C(C)OC1=CC=C(C=C1)Br

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)OC1=CC=C(C=C1)Br

InChI

InChI=1S/C17H21BrN2O4/c1-11(2)17(4,10-19)20-15(21)9-23-16(22)12(3)24-14-7-5-13(18)6-8-14/h5-8,11-12H,9H2,1-4H3,(H,20,21)/t12-,17-/m0/s1