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

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

Isomeric SMILES

C1CC(CN(C1)C(C2=CN=CC=C2)C3=CC4=CC=CC=C4S3)C(=O)O

InChI

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