6-[4-(phenylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[4-(phenylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-(4-benzyl-1-piperidyl)pyridine-3-carboxylic acid CAS Name: 6-[4-(phenylmethyl)-1-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid Traditional Name: 6-(4-benzylpiperidino)nicotinic acid Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H20N2O2/c21-18(22)16-6-7-17(19-13-16)20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,21,22)