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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-cyclohexylcarbonyl-5-(3-nitrophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-5-(3-nitrophenyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-5-(3-nitrophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-5-(3-nitrophenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-5-(3-nitrophenyl)-3-(2-thienyl)proline Formula: C29H27ClN2O6S MolecularWeight: 567.05248

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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(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H27ClN2O6S/c30-20-11-4-10-19(15-20)27(33)24-23(22-13-6-14-39-22)26(29(35)36)31(28(34)17-7-2-1-3-8-17)25(24)18-9-5-12-21(16-18)32(37)38/h4-6,9-17,23-26H,1-3,7-8H2,(H,35,36)