[(2S,3S,4R)-2-(hydroxymethyl)-4-methyl-3-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]methyl benzoate

Systemtic Name: [(2S,3S,4R)-2-(hydroxymethyl)-4-methyl-3-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]methyl benzoate Openeye Name: [(2S,3S,4R)-3-hydroxy-2-(hydroxymethyl)-4-methyl-5-oxo-pyrrolidin-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,4R)-3-hydroxy-2-(hydroxymethyl)-4-methyl-5-oxo-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S,3S,4R)-3-hydroxy-2-(hydroxymethyl)-4-methyl-5-oxopyrrolidin-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,4R)-3-hydroxy-5-keto-4-methyl-2-methylol-pyrrolidin-2-yl]methyl ester Formula: C14H17NO5 MolecularWeight: 279.28848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(NC1=O)(CO)COC(=O)C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-9-11(17)14(7-16,15-12(9)18)8-20-13(19)10-5-3-2-4-6-10/h2-6,9,11,16-17H,7-8H2,1H3,(H,15,18)/t9-,11+,14+/m1/s1