1-[(5-bromanylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]proline Formula: C17H15BrF3NO2S MolecularWeight: 434.27071

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(S3)Br)C(=O)O

InChI

InChI=1S/C17H15BrF3NO2S/c18-14-7-6-13(25-14)15(22-8-2-5-12(22)16(23)24)10-3-1-4-11(9-10)17(19,20)21/h1,3-4,6-7,9,12,15H,2,5,8H2,(H,23,24)