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

Systemtic Name: (2S,4R)-1-(3-fluoranyl-4-methyl-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2S,4R)-1-(3-fluoro-4-methyl-benzoyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-[(3-fluoro-4-methylphenyl)-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylate IUPAC Name: (2S,4R)-1-(3-fluoro-4-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(3-fluoro-4-methyl-benzoyl)-4-hydroxy-pyrrolidine-2-carboxylate Formula: C13H13FNO4- MolecularWeight: 266.245023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FNO4/c1-7-2-3-8(4-10(7)14)12(17)15-6-9(16)5-11(15)13(18)19/h2-4,9,11,16H,5-6H2,1H3,(H,18,19)/p-1/t9-,11+/m1/s1