[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic 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] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C16H17N3O3/c1-11(2)16(3,10-18)19-14(20)9-22-15(21)13-6-4-5-12(7-13)8-17/h4-7,11H,9H2,1-3H3,(H,19,20)/t16-/m1/s1