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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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