tert-butyl (2S,3R,4R)-2-(hydroxymethyl)-4-methyl-3-(phenylcarbonyloxy)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R,4R)-2-(hydroxymethyl)-4-methyl-3-(phenylcarbonyloxy)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3R,4R)-3-benzoyloxy-2-(hydroxymethyl)-4-methyl-pyrrolidine-1-carboxylate CAS Name: (2S,3R,4R)-3-benzoyloxy-2-(hydroxymethyl)-4-methyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R,4R)-3-benzoyloxy-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate Traditional Name: (2S,3R,4R)-3-benzoyloxy-4-methyl-2-methylol-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C1OC(=O)C2=CC=CC=C2)CO)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO5/c1-12-10-19(17(22)24-18(2,3)4)14(11-20)15(12)23-16(21)13-8-6-5-7-9-13/h5-9,12,14-15,20H,10-11H2,1-4H3/t12-,14+,15-/m1/s1