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1-[thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid

1-[thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid

Systemtic Name:1-[thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
Openeye Name:1-[2-thienyl-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CAS Name:1-[thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid
IUPAC Name:1-[thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
Traditional Name:1-[2-thienyl-[4-(trifluoromethyl)phenyl]methyl]pipecolinic acid
Formula: C18H18F3NO2S
MolecularWeight: 369.40123
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=CS3


Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=CS3


InChI

InChI=1S/C18H18F3NO2S/c19-18(20,21)13-8-6-12(7-9-13)16(15-5-3-11-25-15)22-10-2-1-4-14(22)17(23)24/h3,5-9,11,14,16H,1-2,4,10H2,(H,23,24)


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