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

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(3-thienyl)methyl]nipecotic acid Formula: C17H17F2NO2S MolecularWeight: 337.384186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CSC=C2)C3=C(C=C(C=C3)F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CSC=C2)C3=C(C=C(C=C3)F)F)C(=O)O

InChI

InChI=1S/C17H17F2NO2S/c18-13-3-4-14(15(19)8-13)16(12-5-7-23-10-12)20-6-1-2-11(9-20)17(21)22/h3-5,7-8,10-11,16H,1-2,6,9H2,(H,21,22)