1-[[2,4-bis(fluoranyl)phenyl]-thiophen-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(3-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=CSC=C2)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CSC=C2)C3=C(C=C(C=C3)F)F

InChI

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