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

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

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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(=CC=C4)Cl)C5=CC=CS5)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCCC2)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C30H27ClN2O4S/c1-30(29(36)37)25(23-10-5-15-38-23)24(27(34)21-8-4-9-22(31)16-21)26(19-13-11-18(17-32)12-14-19)33(30)28(35)20-6-2-3-7-20/h4-5,8-16,20,24-26H,2-3,6-7H2,1H3,(H,36,37)