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

Systemtic Name: 1-[(3-methylthiophen-2-yl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-2-thiophenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-(2-pyridyl)methyl]nipecotic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H20N2O2S/c1-12-7-10-22-16(12)15(14-6-2-3-8-18-14)19-9-4-5-13(11-19)17(20)21/h2-3,6-8,10,13,15H,4-5,9,11H2,1H3,(H,20,21)