1-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(4-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(4-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=NC=C2)C3=CSC4=CC=CC=C43

Isomeric SMILES

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

InChI

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