1-[1-benzothiophen-3-yl-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-ethyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-ethyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-ethyl-2-pyridyl)methyl]isonipecotic acid Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H24N2O2S/c1-2-15-7-8-19(23-13-15)21(24-11-9-16(10-12-24)22(25)26)18-14-27-20-6-4-3-5-17(18)20/h3-8,13-14,16,21H,2,9-12H2,1H3,(H,25,26)