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

Systemtic Name: 1-[1-benzothiophen-2-yl(pyridin-3-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(3-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl(3-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl(pyridin-3-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(3-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=CN=CC=C2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CN=CC=C2)C3=CC4=CC=CC=C4S3

InChI

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