4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-5-(4-cyanophenyl)-1-[(4-methoxyanilino)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-3-(2-thienyl)proline Formula: C31H24ClN3O5S MolecularWeight: 586.05736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H24ClN3O5S/c1-40-23-13-11-22(12-14-23)34-31(39)35-27(19-9-7-18(17-33)8-10-19)26(29(36)20-4-2-5-21(32)16-20)25(28(35)30(37)38)24-6-3-15-41-24/h2-16,25-28H,1H3,(H,34,39)(H,37,38)