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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-5-(4-cyanophenyl)-1-[(4-methoxyanilino)-oxomethyl]-2-methyl-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-3-(2-thienyl)proline Formula: C32H26ClN3O5S MolecularWeight: 600.08394

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)NC2=CC=C(C=C2)OC)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)NC2=CC=C(C=C2)OC)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C32H26ClN3O5S/c1-32(30(38)39)27(25-7-4-16-42-25)26(29(37)21-5-3-6-22(33)17-21)28(20-10-8-19(18-34)9-11-20)36(32)31(40)35-23-12-14-24(41-2)15-13-23/h3-17,26-28H,1-2H3,(H,35,40)(H,38,39)