4-methoxycarbonyl-2-(phenylmethyl)-5-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]carbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methoxycarbonyl-2-(phenylmethyl)-5-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 2-benzyl-4-methoxycarbonyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-methoxycarbonyl-1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-2-(phenylmethyl)-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-benzyl-4-methoxycarbonyl-5-thiophen-2-yl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 2-benzyl-4-carbomethoxy-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]proline Formula: C26H22F3NO5S MolecularWeight: 517.51679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3=CC=C(C=C3)C(F)(F)F)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3=CC=C(C=C3)C(F)(F)F)(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H22F3NO5S/c1-35-23(32)19-15-25(24(33)34,14-16-6-3-2-4-7-16)30(21(19)20-8-5-13-36-20)22(31)17-9-11-18(12-10-17)26(27,28)29/h2-13,19,21H,14-15H2,1H3,(H,33,34)