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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O

InChI

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