5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[[3-(hydroxymethyl)-1-piperidyl]methyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[[3-(hydroxymethyl)-1-piperidinyl]methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid Traditional Name: 2-methyl-5-[(3-methylolpiperidino)methyl]-3-furoic acid Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN2CCCC(C2)CO)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CN2CCCC(C2)CO)C(=O)O

InChI

InChI=1S/C13H19NO4/c1-9-12(13(16)17)5-11(18-9)7-14-4-2-3-10(6-14)8-15/h5,10,15H,2-4,6-8H2,1H3,(H,16,17)