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

Systemtic Name: 1-[(4-methylthiophen-2-yl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methyl-2-thienyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-(2-pyridyl)methyl]nipecotic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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