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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-cyclobutylcarbonyl-5-(3-nitrophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-5-(3-nitrophenyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-5-(3-nitrophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-5-(3-nitrophenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-5-(3-nitrophenyl)-3-(2-thienyl)proline Formula: C27H23ClN2O6S MolecularWeight: 538.99932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)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

C1CC(C1)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/C27H23ClN2O6S/c28-18-9-2-8-17(13-18)25(31)22-21(20-11-4-12-37-20)24(27(33)34)29(26(32)15-5-1-6-15)23(22)16-7-3-10-19(14-16)30(35)36/h2-4,7-15,21-24H,1,5-6H2,(H,33,34)