tert-butyl (2S,3S,4R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3S,4R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3S,4R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate CAS Name: (2S,3S,4R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-4-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S,4R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate Traditional Name: (2S,3S,4R)-3-(2-hydroxyethyl)-2-methylol-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1CO)CCO)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H]([C@H]1CO)CCO)C2=CC=CC=C2

InChI

InChI=1S/C18H27NO4/c1-18(2,3)23-17(22)19-11-15(13-7-5-4-6-8-13)14(9-10-20)16(19)12-21/h4-8,14-16,20-21H,9-12H2,1-3H3/t14-,15-,16+/m0/s1