[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-13(2)16(20-17(23)14-8-5-4-6-9-14)18(24)25-12-15(22)21(3)11-7-10-19/h4-6,8-9,13,16H,7,11-12H2,1-3H3,(H,20,23)/t16-/m0/s1