2-(2-methylpropyl)-5-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]carbonyl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 2-(2-methylpropyl)-5-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]carbonyl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 2-isobutyl-5-(3-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid CAS Name: 2-(2-methylpropyl)-1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-5-(3-thiophenyl)pyrrolidine-2,4-dicarboxylic acid IUPAC Name: 2-(2-methylpropyl)-5-thiophen-3-yl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid Traditional Name: 2-isobutyl-5-(3-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid Formula: C22H22F3NO5S MolecularWeight: 469.47399

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)C(F)(F)F)C3=CSC=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)C(F)(F)F)C3=CSC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H22F3NO5S/c1-12(2)9-21(20(30)31)10-16(19(28)29)17(14-7-8-32-11-14)26(21)18(27)13-3-5-15(6-4-13)22(23,24)25/h3-8,11-12,16-17H,9-10H2,1-2H3,(H,28,29)(H,30,31)