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

Systemtic Name: 5-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylbenzoyl)-1-(m-tolylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-2-methyl-1-[(3-methylanilino)-oxomethyl]-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylbenzoyl)-1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-2-methyl-1-(m-tolylcarbamoyl)-4-p-toluoyl-3-(2-thienyl)proline Formula: C33H29N3O4S MolecularWeight: 563.66606

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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)C)(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)C)(C)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C33H29N3O4S/c1-20-9-13-24(14-10-20)30(37)27-28(26-8-5-17-41-26)33(3,31(38)39)36(29(27)23-15-11-22(19-34)12-16-23)32(40)35-25-7-4-6-21(2)18-25/h4-18,27-29H,1-3H3,(H,35,40)(H,38,39)