tert-butyl (2S)-2-[(E,1S)-1-oxidanyl-4-phenylmethoxy-but-2-enyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(E,1S)-1-oxidanyl-4-phenylmethoxy-but-2-enyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(E,1S)-4-benzyloxy-1-hydroxy-but-2-enyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(E,1S)-1-hydroxy-4-phenylmethoxybut-2-enyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(E,1S)-1-hydroxy-4-phenylmethoxybut-2-enyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(E,1S)-4-benzoxy-1-hydroxy-but-2-enyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(C=CCOCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](/C=C/COCC2=CC=CC=C2)O

InChI

InChI=1S/C20H29NO4/c1-20(2,3)25-19(23)21-13-7-11-17(21)18(22)12-8-14-24-15-16-9-5-4-6-10-16/h4-6,8-10,12,17-18,22H,7,11,13-15H2,1-3H3/b12-8+/t17-,18-/m0/s1