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

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]proline Formula: C19H20F3NO2S MolecularWeight: 383.42781

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC3C(=O)O

InChI

InChI=1S/C19H20F3NO2S/c1-2-14-8-9-16(26-14)17(23-10-4-7-15(23)18(24)25)12-5-3-6-13(11-12)19(20,21)22/h3,5-6,8-9,11,15,17H,2,4,7,10H2,1H3,(H,24,25)