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

Systemtic Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-(phenylcarbonyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-benzoyl-3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-benzoyl-3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-benzoyl-3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-benzoyl-3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-4-(2-thenoyl)proline Formula: C33H30FNO4S MolecularWeight: 555.659003

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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)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)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

InChI

InChI=1S/C33H30FNO4S/c1-33(2,3)23-15-11-20(12-16-23)26-27(30(36)25-10-7-19-40-25)28(21-13-17-24(34)18-14-21)35(29(26)32(38)39)31(37)22-8-5-4-6-9-22/h4-19,26-29H,1-3H3,(H,38,39)