1-[[2,4-bis(fluoranyl)phenyl]-thiophen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(2-thienyl)methyl]isonipecotic acid Formula: C17H17F2NO2S MolecularWeight: 337.384186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)F)F)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)F)F)C3=CC=CS3

InChI

InChI=1S/C17H17F2NO2S/c18-12-3-4-13(14(19)10-12)16(15-2-1-9-23-15)20-7-5-11(6-8-20)17(21)22/h1-4,9-11,16H,5-8H2,(H,21,22)