4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-cyclopentylcarbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-cyclopentylcarbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(cyclopentanecarbonyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-5-(4-cyanophenyl)-1-[cyclopentyl(oxo)methyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(cyclopentanecarbonyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(cyclopentanecarbonyl)-3-(2-thienyl)proline Formula: C29H25ClN2O4S MolecularWeight: 533.0378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC(C1)C(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H25ClN2O4S/c30-21-8-3-7-20(15-21)27(33)24-23(22-9-4-14-37-22)26(29(35)36)32(28(34)19-5-1-2-6-19)25(24)18-12-10-17(16-31)11-13-18/h3-4,7-15,19,23-26H,1-2,5-6H2,(H,35,36)