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1-[thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

1-[thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name:1-[thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
Openeye Name:1-[3-thienyl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CAS Name:1-[3-thiophenyl-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
Traditional Name:1-[3-thienyl-[3-(trifluoromethyl)phenyl]methyl]isonipecotic acid
Formula: C18H18F3NO2S
MolecularWeight: 369.40123
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H18F3NO2S/c19-18(20,21)15-3-1-2-13(10-15)16(14-6-9-25-11-14)22-7-4-12(5-8-22)17(23)24/h1-3,6,9-12,16H,4-5,7-8H2,(H,23,24)


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