(2S,3S,4R)-4-methyl-5-oxidanylidene-3-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3S,4R)-4-methyl-5-oxidanylidene-3-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,3S,4R)-3-(benzyloxymethyl)-4-methyl-5-oxo-pyrrolidine-2-carboxylic acid CAS Name: (2S,3S,4R)-4-methyl-5-oxo-3-(phenylmethoxymethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4R)-4-methyl-5-oxo-3-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,3S,4R)-3-(benzoxymethyl)-5-keto-4-methyl-proline Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(NC1=O)C(=O)O)COCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]1[C@@H]([C@H](NC1=O)C(=O)O)COCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO4/c1-9-11(12(14(17)18)15-13(9)16)8-19-7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H,15,16)(H,17,18)/t9-,11+,12+/m1/s1