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

Systemtic Name: 1-[(3-methylthiophen-2-yl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-2-thiophenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-(2-pyridyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

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