4-[3-(hydroxymethyl)-5-oxidanyl-piperidin-4-yl]benzoic acid

Systemtic Name: 4-[3-(hydroxymethyl)-5-oxidanyl-piperidin-4-yl]benzoic acid Openeye Name: 4-[3-hydroxy-5-(hydroxymethyl)-4-piperidyl]benzoic acid CAS Name: 4-[3-hydroxy-5-(hydroxymethyl)-4-piperidinyl]benzoic acid IUPAC Name: 4-[3-hydroxy-5-(hydroxymethyl)piperidin-4-yl]benzoic acid Traditional Name: 4-(3-hydroxy-5-methylol-4-piperidyl)benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CN1)O)C2=CC=C(C=C2)C(=O)O)CO

Isomeric SMILES

C1C(C(C(CN1)O)C2=CC=C(C=C2)C(=O)O)CO

InChI

InChI=1S/C13H17NO4/c15-7-10-5-14-6-11(16)12(10)8-1-3-9(4-2-8)13(17)18/h1-4,10-12,14-16H,5-7H2,(H,17,18)