(phenylmethyl) (2S)-2-[(E,1R)-4-ethoxy-1-oxidanyl-4-oxidanylidene-but-2-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(E,1R)-4-ethoxy-1-oxidanyl-4-oxidanylidene-but-2-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(E,1R)-4-ethoxy-1-hydroxy-4-oxo-but-2-enyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(E,1R)-4-ethoxy-1-hydroxy-4-oxobut-2-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(E,1R)-4-ethoxy-1-hydroxy-4-oxobut-2-enyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(E,1R)-4-ethoxy-1-hydroxy-4-keto-but-2-enyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-2-23-17(21)11-10-16(20)15-9-6-12-19(15)18(22)24-13-14-7-4-3-5-8-14/h3-5,7-8,10-11,15-16,20H,2,6,9,12-13H2,1H3/b11-10+/t15-,16+/m0/s1