(3S)-1-(5-chloranyl-2-oxidanyl-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(5-chloranyl-2-oxidanyl-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(5-chloro-2-hydroxy-benzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(5-chloro-2-hydroxybenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(5-chloro-2-hydroxy-benzoyl)nipecotate Formula: C13H13ClNO4- MolecularWeight: 282.69962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(C=CC(=C2)Cl)O)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)Cl)O)C(=O)[O-]

InChI

InChI=1S/C13H14ClNO4/c14-9-3-4-11(16)10(6-9)12(17)15-5-1-2-8(7-15)13(18)19/h3-4,6,8,16H,1-2,5,7H2,(H,18,19)/p-1/t8-/m0/s1