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

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic 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] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3/c1-11(2)16(3,10-18)19-14(20)9-22-15(21)13-6-4-12(8-17)5-7-13/h4-7,11H,9H2,1-3H3,(H,19,20)/t16-/m0/s1