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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(4-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(4-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(4-methyl-2-thienyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC(=CS2)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H24N2O2S/c1-3-14-4-5-16(20-11-14)18(17-10-13(2)12-24-17)21-8-6-15(7-9-21)19(22)23/h4-5,10-12,15,18H,3,6-9H2,1-2H3,(H,22,23)