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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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