methyl (2S,4S)-4-[(E)-4-(1,3-benzodioxol-5-yl)but-3-enyl]-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[(E)-4-(1,3-benzodioxol-5-yl)but-3-enyl]-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(E)-4-(1,3-benzodioxol-5-yl)but-3-enyl]-5-oxo-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-[(E)-4-(1,3-benzodioxol-5-yl)but-3-enyl]-5-oxo-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[(E)-4-(1,3-benzodioxol-5-yl)but-3-enyl]-5-oxopyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-[(E)-4-(1,3-benzodioxol-5-yl)but-3-enyl]-5-keto-pyrrolidine-2-carboxylic acid methyl ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C(=O)N1)CCC=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C(=O)N1)CC/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19NO5/c1-21-17(20)13-9-12(16(19)18-13)5-3-2-4-11-6-7-14-15(8-11)23-10-22-14/h2,4,6-8,12-13H,3,5,9-10H2,1H3,(H,18,19)/b4-2+/t12-,13-/m0/s1