1-[(4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]proline Formula: C18H18F3NO2S MolecularWeight: 369.40123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC3C(=O)O

InChI

InChI=1S/C18H18F3NO2S/c1-11-8-15(25-10-11)16(22-7-3-6-14(22)17(23)24)12-4-2-5-13(9-12)18(19,20)21/h2,4-5,8-10,14,16H,3,6-7H2,1H3,(H,23,24)