1-(3,4-dichlorophenyl)carbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 1-(3,4-dichlorophenyl)carbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 1-(3,4-dichlorobenzoyl)-2-isobutyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-oxomethyl]-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 1-(3,4-dichlorobenzoyl)-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 1-(3,4-dichlorobenzoyl)-2-isobutyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C21H21Cl2NO5S MolecularWeight: 470.36614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC=CS3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1(CC(C(N1C(=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC=CS3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H21Cl2NO5S/c1-11(2)9-21(20(28)29)10-13(19(26)27)17(16-4-3-7-30-16)24(21)18(25)12-5-6-14(22)15(23)8-12/h3-8,11,13,17H,9-10H2,1-2H3,(H,26,27)(H,28,29)