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

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

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=NC=C2)C3=CSC4=CC=CC=C43

InChI

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