1-[(5-ethylpyridin-2-yl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(4-methyl-2-thienyl)methyl]nipecotic acid Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H24N2O2S/c1-3-14-6-7-16(20-10-14)18(17-9-13(2)12-24-17)21-8-4-5-15(11-21)19(22)23/h6-7,9-10,12,15,18H,3-5,8,11H2,1-2H3,(H,22,23)