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1-[1-benzothiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

1-[1-benzothiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name:1-[1-benzothiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
Openeye Name:1-[benzothiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CAS Name:1-[1-benzothiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid
IUPAC Name:1-[1-benzothiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
Traditional Name:1-[benzothiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]proline
Formula: C21H18F3NO2S
MolecularWeight: 405.43333
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CSC4=CC=CC=C43)C(=O)O


Isomeric SMILES

C1CC(N(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CSC4=CC=CC=C43)C(=O)O


InChI

InChI=1S/C21H18F3NO2S/c22-21(23,24)16-8-3-1-7-14(16)19(25-11-5-9-17(25)20(26)27)15-12-28-18-10-4-2-6-13(15)18/h1-4,6-8,10,12,17,19H,5,9,11H2,(H,26,27)


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