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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-cyclohexylcarbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-5-(4-cyanophenyl)-1-[cyclohexyl(oxo)methyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-3-(2-thienyl)proline Formula: C30H27ClN2O4S MolecularWeight: 547.06438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)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(CC1)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/C30H27ClN2O4S/c31-22-9-4-8-21(16-22)28(34)25-24(23-10-5-15-38-23)27(30(36)37)33(29(35)20-6-2-1-3-7-20)26(25)19-13-11-18(17-32)12-14-19/h4-5,8-16,20,24-27H,1-3,6-7H2,(H,36,37)