3-(4-chlorophenyl)-1-cyclobutylcarbonyl-5-(4-fluorophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-1-cyclobutylcarbonyl-5-(4-fluorophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-5-(4-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-1-[cyclobutyl(oxo)methyl]-5-(4-fluorophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-5-(4-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-5-(4-fluorophenyl)-4-(2-thenoyl)proline Formula: C27H23ClFNO4S MolecularWeight: 511.992223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2C(C(C(C2C(=O)O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CC(C1)C(=O)N2C(C(C(C2C(=O)O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H23ClFNO4S/c28-18-10-6-15(7-11-18)21-22(25(31)20-5-2-14-35-20)23(16-8-12-19(29)13-9-16)30(24(21)27(33)34)26(32)17-3-1-4-17/h2,5-14,17,21-24H,1,3-4H2,(H,33,34)