1-[1-(3-methylthiophen-2-yl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(3-methylthiophen-2-yl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(3-methyl-2-thienyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3-methyl-2-thiophenyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-methylthiophen-2-yl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(3-methyl-2-thienyl)-2-(2-pyridyl)ethyl]nipecotic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H22N2O2S/c1-13-7-10-23-17(13)16(11-15-6-2-3-8-19-15)20-9-4-5-14(12-20)18(21)22/h2-3,6-8,10,14,16H,4-5,9,11-12H2,1H3,(H,21,22)