tert-butyl 4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidino]-2-keto-ethyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NCC(=O)N2C(CCC2C#N)C#C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NCC(=O)N2[C@H](CC[C@H]2C#N)C#C

InChI

InChI=1S/C19H28N4O3/c1-5-15-6-7-16(12-20)23(15)17(24)13-21-14-8-10-22(11-9-14)18(25)26-19(2,3)4/h1,14-16,21H,6-11,13H2,2-4H3/t15-,16-/m0/s1