4-(4-cyanophenyl)carbonyl-1-cyclopropylcarbonyl-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(4-cyanophenyl)carbonyl-1-cyclopropylcarbonyl-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-cyanobenzoyl)-1-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(4-cyanophenyl)-oxomethyl]-1-[cyclopropyl(oxo)methyl]-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-cyanobenzoyl)-1-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(4-cyanobenzoyl)-1-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)proline Formula: C31H27FN2O6 MolecularWeight: 542.554283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3CC3)C4=CC=C(C=C4)F)C(=O)C5=CC=C(C=C5)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3CC3)C4=CC=C(C=C4)F)C(=O)C5=CC=C(C=C5)C#N)OC

InChI

InChI=1S/C31H27FN2O6/c1-39-23-14-11-21(15-24(23)40-2)25-26(29(35)19-5-3-17(16-33)4-6-19)27(18-9-12-22(32)13-10-18)34(28(25)31(37)38)30(36)20-7-8-20/h3-6,9-15,20,25-28H,7-8H2,1-2H3,(H,37,38)