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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thienyl)methyl]proline Formula: C17H15ClF3NO2S MolecularWeight: 389.81971

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CSC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CSC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C17H15ClF3NO2S/c18-13-4-3-11(17(19,20)21)8-12(13)15(10-5-7-25-9-10)22-6-1-2-14(22)16(23)24/h3-5,7-9,14-15H,1-2,6H2,(H,23,24)