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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N(C)CCC#N)NC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)N(C)CCC#N)NC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C18H24N4O4/c1-13(2)16(21-18(25)20-14-8-5-4-6-9-14)17(24)26-12-15(23)22(3)11-7-10-19/h4-6,8-9,13,16H,7,11-12H2,1-3H3,(H2,20,21,25)/t16-/m1/s1