methyl (2S)-1-[(E,5R)-5-methyl-6-oxidanyl-hex-3-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(E,5R)-5-methyl-6-oxidanyl-hex-3-enoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(E,5R)-6-hydroxy-5-methyl-hex-3-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(E,5R)-6-hydroxy-5-methyl-1-oxohex-3-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(E,5R)-6-hydroxy-5-methylhex-3-enoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(E,5R)-6-hydroxy-5-methyl-hex-3-enoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C=CCC(=O)N1CCCC1C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO4/c1-10(9-15)5-3-7-12(16)14-8-4-6-11(14)13(17)18-2/h3,5,10-11,15H,4,6-9H2,1-2H3/b5-3+/t10-,11+/m1/s1