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

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-phenylazanylbenzoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-anilinobenzoate CAS Name: 2-anilinobenzoic 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-anilinobenzoate Traditional Name: 2-anilinobenzoic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC=CC=C1NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1=CC=CC=C1NC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O3/c1-15(2)21(3,14-22)24-19(25)13-27-20(26)17-11-7-8-12-18(17)23-16-9-5-4-6-10-16/h4-12,15,23H,13H2,1-3H3,(H,24,25)/t21-/m0/s1