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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=CS2)C3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=CS2)C3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C17H15ClF3NO2S/c18-12-6-5-10(17(19,20)21)9-11(12)15(14-4-2-8-25-14)22-7-1-3-13(22)16(23)24/h2,4-6,8-9,13,15H,1,3,7H2,(H,23,24)