[(2S)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2,4,6-trimethylbenzoate

Systemtic Name: [(2S)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2,4,6-trimethylbenzoate Openeye Name: [(1S)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-1-methyl-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [(1S)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3/c1-11(2)19(7,10-20)21-17(22)15(6)24-18(23)16-13(4)8-12(3)9-14(16)5/h8-9,11,15H,1-7H3,(H,21,22)/t15-,19+/m0/s1