1-[(5-ethylthiophen-2-yl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=NC=C(C=C2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=NC=C(C=C2)C)N3CCCC(C3)C(=O)O

InChI

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