3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 3-[[3-(hydroxymethyl)-1-piperidyl]methyl]furan-2-carboxylic acid CAS Name: 3-[[3-(hydroxymethyl)-1-piperidinyl]methyl]-2-furancarboxylic acid IUPAC Name: 3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 3-[(3-methylolpiperidino)methyl]-2-furoic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(OC=C2)C(=O)O)CO

Isomeric SMILES

C1CC(CN(C1)CC2=C(OC=C2)C(=O)O)CO

InChI

InChI=1S/C12H17NO4/c14-8-9-2-1-4-13(6-9)7-10-3-5-17-11(10)12(15)16/h3,5,9,14H,1-2,4,6-8H2,(H,15,16)