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

Systemtic Name: 3-(4-chlorophenyl)-1-cyclohexylcarbonyl-5-(4-fluorophenyl)-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-1-[cyclohexyl(oxo)methyl]-5-(4-fluorophenyl)-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-2-methyl-4-(2-thenoyl)proline Formula: C30H29ClFNO4S MolecularWeight: 554.071963

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C30H29ClFNO4S/c1-30(29(36)37)25(18-9-13-21(31)14-10-18)24(27(34)23-8-5-17-38-23)26(19-11-15-22(32)16-12-19)33(30)28(35)20-6-3-2-4-7-20/h5,8-17,20,24-26H,2-4,6-7H2,1H3,(H,36,37)