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

Systemtic Name: tert-butyl 4-[[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[2-[(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidino]-2-keto-ethyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3/c1-5-16-6-7-17(12-21)24(16)18(25)14-22-13-15-8-10-23(11-9-15)19(26)27-20(2,3)4/h1,15-17,22H,6-11,13-14H2,2-4H3/t16-,17-/m0/s1