[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N(CCC#N)C1=CC=CC=C1)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)N(CCC#N)C1=CC=CC=C1)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H26N4O4/c1-17(2)21(26-23(30)25-18-10-5-3-6-11-18)22(29)31-16-20(28)27(15-9-14-24)19-12-7-4-8-13-19/h3-8,10-13,17,21H,9,15-16H2,1-2H3,(H2,25,26,30)/t21-/m1/s1