(2S,4R)-1-(4-methyl-3-oxidanyl-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2S,4R)-1-(4-methyl-3-oxidanyl-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2S,4R)-4-hydroxy-1-(3-hydroxy-4-methyl-benzoyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[(3-hydroxy-4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4R)-4-hydroxy-1-(3-hydroxy-4-methylbenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-(3-hydroxy-4-methyl-benzoyl)pyrrolidine-2-carboxylate Formula: C13H14NO5- MolecularWeight: 264.25396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC(CC2C(=O)[O-])O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C[C@@H](C[C@H]2C(=O)[O-])O)O

InChI

InChI=1S/C13H15NO5/c1-7-2-3-8(4-11(7)16)12(17)14-6-9(15)5-10(14)13(18)19/h2-4,9-10,15-16H,5-6H2,1H3,(H,18,19)/p-1/t9-,10+/m1/s1