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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-cyclohexylcarbonyl-2-methyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-2-methyl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-5-(4-cyanophenyl)-1-[cyclohexyl(oxo)methyl]-2-methyl-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-2-methyl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-2-methyl-3-(2-thienyl)proline Formula: C31H29ClN2O4S MolecularWeight: 561.09096

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C31H29ClN2O4S/c1-31(30(37)38)26(24-11-6-16-39-24)25(28(35)22-9-5-10-23(32)17-22)27(20-14-12-19(18-33)13-15-20)34(31)29(36)21-7-3-2-4-8-21/h5-6,9-17,21,25-27H,2-4,7-8H2,1H3,(H,37,38)