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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-cyclohexylcarbonyl-5-(2-phenylethenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-5-styryl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-5-(2-phenylethenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-5-(2-phenylethenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-5-styryl-3-(2-thienyl)proline Formula: C31H30ClNO4S MolecularWeight: 548.0922

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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)C=CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C=CC5=CC=CC=C5

InChI

InChI=1S/C31H30ClNO4S/c32-23-14-7-13-22(19-23)29(34)26-24(17-16-20-9-3-1-4-10-20)33(30(35)21-11-5-2-6-12-21)28(31(36)37)27(26)25-15-8-18-38-25/h1,3-4,7-10,13-19,21,24,26-28H,2,5-6,11-12H2,(H,36,37)