3,5-bis(4-cyanophenyl)-1-cyclopentylcarbonyl-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3,5-bis(4-cyanophenyl)-1-cyclopentylcarbonyl-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3,5-bis(4-cyanophenyl)-1-(cyclopentanecarbonyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3,5-bis(4-cyanophenyl)-1-[cyclopentyl(oxo)methyl]-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3,5-bis(4-cyanophenyl)-1-(cyclopentanecarbonyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3,5-bis(4-cyanophenyl)-1-(cyclopentanecarbonyl)-2-methyl-4-(2-thenoyl)proline Formula: C31H27N3O4S MolecularWeight: 537.62878

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCCC2)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C#N)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCCC2)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C#N)C(=O)O

InChI

InChI=1S/C31H27N3O4S/c1-31(30(37)38)26(21-12-8-19(17-32)9-13-21)25(28(35)24-7-4-16-39-24)27(22-14-10-20(18-33)11-15-22)34(31)29(36)23-5-2-3-6-23/h4,7-16,23,25-27H,2-3,5-6H2,1H3,(H,37,38)