1-[4,4-bis(3-fluoranylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4,4-bis(3-fluoranylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[4,4-bis(3-fluoro-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[4,4-bis(3-fluoro-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4,4-bis(3-fluorothiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[4,4-bis(3-fluoro-2-thienyl)but-3-enyl]nipecotic acid Formula: C18H19F2NO2S2 MolecularWeight: 383.475766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC=C(C2=C(C=CS2)F)C3=C(C=CS3)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCC=C(C2=C(C=CS2)F)C3=C(C=CS3)F)C(=O)O

InChI

InChI=1S/C18H19F2NO2S2/c19-14-5-9-24-16(14)13(17-15(20)6-10-25-17)4-2-8-21-7-1-3-12(11-21)18(22)23/h4-6,9-10,12H,1-3,7-8,11H2,(H,22,23)