tert-butyl (2S,3R,4S)-2-methanoyl-4-methyl-3-phenylmethoxy-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R,4S)-2-methanoyl-4-methyl-3-phenylmethoxy-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3R,4S)-3-benzyloxy-2-formyl-4-methyl-pyrrolidine-1-carboxylate CAS Name: (2S,3R,4S)-2-formyl-4-methyl-3-phenylmethoxy-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R,4S)-2-formyl-4-methyl-3-phenylmethoxypyrrolidine-1-carboxylate Traditional Name: (2S,3R,4S)-3-benzoxy-2-formyl-4-methyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C1OCC2=CC=CC=C2)C=O)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1CN([C@@H]([C@@H]1OCC2=CC=CC=C2)C=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H25NO4/c1-13-10-19(17(21)23-18(2,3)4)15(11-20)16(13)22-12-14-8-6-5-7-9-14/h5-9,11,13,15-16H,10,12H2,1-4H3/t13-,15+,16+/m0/s1