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

Systemtic Name: 1-[(3-chlorophenyl)carbamoyl]-5-(4-cyanophenyl)-2-methyl-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)carbamoyl]-5-(4-cyanophenyl)-2-methyl-4-(4-methylbenzoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-chloroanilino)-oxomethyl]-5-(4-cyanophenyl)-2-methyl-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)carbamoyl]-5-(4-cyanophenyl)-2-methyl-4-(4-methylbenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)carbamoyl]-5-(4-cyanophenyl)-2-methyl-4-p-toluoyl-3-(2-thienyl)proline Formula: C32H26ClN3O4S MolecularWeight: 584.08454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)NC4=CC(=CC=C4)Cl)(C)C(=O)O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)NC4=CC(=CC=C4)Cl)(C)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C32H26ClN3O4S/c1-19-8-12-22(13-9-19)29(37)26-27(25-7-4-16-41-25)32(2,30(38)39)36(28(26)21-14-10-20(18-34)11-15-21)31(40)35-24-6-3-5-23(33)17-24/h3-17,26-28H,1-2H3,(H,35,40)(H,38,39)