[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-benzamidoethanoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-benzamidoethanoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H19N3O4/c1-17(11-18,13-7-8-13)20-14(21)10-24-15(22)9-19-16(23)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,19,23)(H,20,21)/t17-/m0/s1