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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-cyclobutylcarbonyl-5-(4-dimethylaminophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-5-(4-dimethylaminophenyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-5-(4-dimethylaminophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-5-(4-dimethylaminophenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-5-(4-dimethylaminophenyl)-3-(2-thienyl)proline Formula: C29H29ClN2O4S MolecularWeight: 537.06956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C(C(C(N2C(=O)C3CCC3)C(=O)O)C4=CC=CS4)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2C(C(C(N2C(=O)C3CCC3)C(=O)O)C4=CC=CS4)C(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H29ClN2O4S/c1-31(2)21-13-11-17(12-14-21)25-24(27(33)19-8-4-9-20(30)16-19)23(22-10-5-15-37-22)26(29(35)36)32(25)28(34)18-6-3-7-18/h4-5,8-16,18,23-26H,3,6-7H2,1-2H3,(H,35,36)