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

Systemtic Name: 3-(4-chlorophenyl)-1-cyclohexylcarbonyl-5-(4-fluorophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-1-[cyclohexyl(oxo)methyl]-5-(4-fluorophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-4-(2-thenoyl)proline Formula: C29H27ClFNO4S MolecularWeight: 540.045383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)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

C1CCC(CC1)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/C29H27ClFNO4S/c30-20-12-8-17(9-13-20)23-24(27(33)22-7-4-16-37-22)25(18-10-14-21(31)15-11-18)32(26(23)29(35)36)28(34)19-5-2-1-3-6-19/h4,7-16,19,23-26H,1-3,5-6H2,(H,35,36)