3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-(3-fluorophenyl)carbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-(3-fluorophenyl)carbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-(3-fluorobenzoyl)-5-(4-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-[(3-fluorophenyl)-oxomethyl]-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-(3-fluorobenzoyl)-5-(4-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-(3-fluorobenzoyl)-5-(4-fluorophenyl)-4-(2-thenoyl)proline Formula: C33H29F2NO4S MolecularWeight: 573.649466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3=CC(=CC=C3)F)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3=CC(=CC=C3)F)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

InChI

InChI=1S/C33H29F2NO4S/c1-33(2,3)22-13-9-19(10-14-22)26-27(30(37)25-8-5-17-41-25)28(20-11-15-23(34)16-12-20)36(29(26)32(39)40)31(38)21-6-4-7-24(35)18-21/h4-18,26-29H,1-3H3,(H,39,40)