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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O

InChI

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