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

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

Isomeric SMILES

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

InChI

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