1-[1-(3-methylthiophen-2-yl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(3-methylthiophen-2-yl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(3-methyl-2-thienyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(3-methyl-2-thiophenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-methylthiophen-2-yl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(3-methyl-2-thienyl)-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

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