tert-butyl (2S)-2-(2-phenylethynyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(2-phenylethynyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(2-phenylethynyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-(2-phenylethynyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(2-phenylethynyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-(2-phenylethynyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C#CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C#CC2=CC=CC=C2

InChI

InChI=1S/C17H21NO2/c1-17(2,3)20-16(19)18-13-7-10-15(18)12-11-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10,13H2,1-3H3/t15-/m0/s1