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

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)ethanoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-(4-acetamidophenyl)acetate CAS Name: 2-(4-acetamidophenyl)acetic 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] 2-(4-acetamidophenyl)acetate Traditional Name: 2-(4-acetamidophenyl)acetic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-12(2)18(4,11-19)21-16(23)10-25-17(24)9-14-5-7-15(8-6-14)20-13(3)22/h5-8,12H,9-10H2,1-4H3,(H,20,22)(H,21,23)/t18-/m0/s1