1-[(5-ethylthiophen-2-yl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-(3-pyridyl)methyl]isonipecotic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H22N2O2S/c1-2-15-5-6-16(23-15)17(14-4-3-9-19-12-14)20-10-7-13(8-11-20)18(21)22/h3-6,9,12-13,17H,2,7-8,10-11H2,1H3,(H,21,22)