[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H26FN3O4/c1-14(2)21(3,13-23)24-18(26)12-29-20(28)16-8-10-25(11-9-16)19(27)15-4-6-17(22)7-5-15/h4-7,14,16H,8-12H2,1-3H3,(H,24,26)/t21-/m0/s1