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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c1-16(2)20(25-22(29)24-17-9-5-3-6-10-17)21(28)30-15-19(27)26(14-13-23)18-11-7-4-8-12-18/h3-12,16,20H,14-15H2,1-2H3,(H2,24,25,29)/t20-/m1/s1