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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=N2)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=N2)C3=CSC4=CC=CC=C43

InChI

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