tert-butyl (3S)-3-(2-cyanoethanoyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(2-cyanoethanoyl)piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-(2-cyanoacetyl)piperidine-1-carboxylate CAS Name: (3S)-3-(2-cyano-1-oxoethyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(2-cyanoacetyl)piperidine-1-carboxylate Traditional Name: (3S)-3-(2-cyanoacetyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)CC#N

InChI

InChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-8-4-5-10(9-15)11(16)6-7-14/h10H,4-6,8-9H2,1-3H3/t10-/m0/s1