(3S)-1-(3-chloranyl-4-oxidanyl-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(3-chloranyl-4-oxidanyl-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(3-chloro-4-hydroxy-benzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(3-chloro-4-hydroxyphenyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(3-chloro-4-hydroxybenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3-chloro-4-hydroxy-benzoyl)nipecotate Formula: C13H13ClNO4- MolecularWeight: 282.69962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO4/c14-10-6-8(3-4-11(10)16)12(17)15-5-1-2-9(7-15)13(18)19/h3-4,6,9,16H,1-2,5,7H2,(H,18,19)/p-1/t9-/m0/s1