5-(4-cyanophenyl)-4-(4-cyanophenyl)carbonyl-3-(3,4-dimethoxyphenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-4-(4-cyanophenyl)carbonyl-3-(3,4-dimethoxyphenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-cyanobenzoyl)-5-(4-cyanophenyl)-3-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-4-[(4-cyanophenyl)-oxomethyl]-3-(3,4-dimethoxyphenyl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-cyanobenzoyl)-5-(4-cyanophenyl)-3-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(4-cyanobenzoyl)-5-(4-cyanophenyl)-3-(3,4-dimethoxyphenyl)-1-(2-thenoyl)proline Formula: C33H25N3O6S MolecularWeight: 591.6331

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C#N)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)C3=CC=CS3)C4=CC=C(C=C4)C#N)C(=O)C5=CC=C(C=C5)C#N)OC

InChI

InChI=1S/C33H25N3O6S/c1-41-24-14-13-23(16-25(24)42-2)27-28(31(37)22-11-7-20(18-35)8-12-22)29(21-9-5-19(17-34)6-10-21)36(30(27)33(39)40)32(38)26-4-3-15-43-26/h3-16,27-30H,1-2H3,(H,39,40)