1-[1-benzothiophen-3-yl(pyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl(pyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl(pyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(2-pyridyl)methyl]nipecotic acid Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=N2)C3=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=N2)C3=CSC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C20H20N2O2S/c23-20(24)14-6-5-11-22(12-14)19(17-8-3-4-10-21-17)16-13-25-18-9-2-1-7-15(16)18/h1-4,7-10,13-14,19H,5-6,11-12H2,(H,23,24)