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

Systemtic Name: 3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[[3-(hydroxymethyl)-1-piperidyl]methyl]benzofuran-2-carboxylic acid CAS Name: 3-[[3-(hydroxymethyl)-1-piperidinyl]methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(3-methylolpiperidino)methyl]coumarilic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(OC3=CC=CC=C32)C(=O)O)CO

Isomeric SMILES

C1CC(CN(C1)CC2=C(OC3=CC=CC=C32)C(=O)O)CO

InChI

InChI=1S/C16H19NO4/c18-10-11-4-3-7-17(8-11)9-13-12-5-1-2-6-14(12)21-15(13)16(19)20/h1-2,5-6,11,18H,3-4,7-10H2,(H,19,20)