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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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