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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(3-thienyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H22N2O2S/c1-2-13-5-6-16(19-10-13)17(15-7-9-23-12-15)20-8-3-4-14(11-20)18(21)22/h5-7,9-10,12,14,17H,2-4,8,11H2,1H3,(H,21,22)