2-[3-(hydroxymethyl)piperidin-1-yl]quinoline-4-carboxylic acid

Systemtic Name: 2-[3-(hydroxymethyl)piperidin-1-yl]quinoline-4-carboxylic acid Openeye Name: 2-[3-(hydroxymethyl)-1-piperidyl]quinoline-4-carboxylic acid CAS Name: 2-[3-(hydroxymethyl)-1-piperidinyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[3-(hydroxymethyl)piperidin-1-yl]quinoline-4-carboxylic acid Traditional Name: 2-(3-methylolpiperidino)cinchoninic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)CO

Isomeric SMILES

C1CC(CN(C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)CO

InChI

InChI=1S/C16H18N2O3/c19-10-11-4-3-7-18(9-11)15-8-13(16(20)21)12-5-1-2-6-14(12)17-15/h1-2,5-6,8,11,19H,3-4,7,9-10H2,(H,20,21)