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

Systemtic Name: 1-[1-benzothiophen-2-yl(pyridin-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl(pyridin-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(3-pyridyl)methyl]isonipecotic acid Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CN=CC=C2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CN=CC=C2)C3=CC4=CC=CC=C4S3

InChI

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