(2S,4R)-1-(5-chloranyl-2-methoxy-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2S,4R)-1-(5-chloranyl-2-methoxy-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2S,4R)-1-(5-chloro-2-methoxy-benzoyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-[(5-chloro-2-methoxyphenyl)-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylate IUPAC Name: (2S,4R)-1-(5-chloro-2-methoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(5-chloro-2-methoxy-benzoyl)-4-hydroxy-pyrrolidine-2-carboxylate Formula: C13H13ClNO5- MolecularWeight: 298.69902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CC(CC2C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2C[C@@H](C[C@H]2C(=O)[O-])O

InChI

InChI=1S/C13H14ClNO5/c1-20-11-3-2-7(14)4-9(11)12(17)15-6-8(16)5-10(15)13(18)19/h2-4,8,10,16H,5-6H2,1H3,(H,18,19)/p-1/t8-,10+/m1/s1