(phenylmethyl) (2S)-2-[(1S)-3-ethoxycarbonyl-1-oxidanyl-but-3-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(1S)-3-ethoxycarbonyl-1-oxidanyl-but-3-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(1S)-3-ethoxycarbonyl-1-hydroxy-but-3-enyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(1S)-3-ethoxycarbonyl-1-hydroxybut-3-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(1S)-3-ethoxycarbonyl-1-hydroxybut-3-enyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1S)-3-carbethoxy-1-hydroxy-but-3-enyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C)CC(C1CCCN1C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C(=C)C[C@@H]([C@@H]1CCCN1C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C19H25NO5/c1-3-24-18(22)14(2)12-17(21)16-10-7-11-20(16)19(23)25-13-15-8-5-4-6-9-15/h4-6,8-9,16-17,21H,2-3,7,10-13H2,1H3/t16-,17-/m0/s1