tert-butyl (2S,3S)-2-(4-cyanophenyl)-3-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3S)-2-(4-cyanophenyl)-3-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3S)-2-(4-cyanophenyl)-3-hydroxy-pyrrolidine-1-carboxylate CAS Name: (2S,3S)-2-(4-cyanophenyl)-3-hydroxy-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-2-(4-cyanophenyl)-3-hydroxypyrrolidine-1-carboxylate Traditional Name: (2S,3S)-2-(4-cyanophenyl)-3-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1C2=CC=C(C=C2)C#N)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]1C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C16H20N2O3/c1-16(2,3)21-15(20)18-9-8-13(19)14(18)12-6-4-11(10-17)5-7-12/h4-7,13-14,19H,8-9H2,1-3H3/t13-,14-/m0/s1