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

Systemtic Name: 3-(4-cyanophenyl)-2-methyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-2-methyl-5-(m-tolyl)-1-(m-tolylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-cyanophenyl)-2-methyl-1-[(3-methylanilino)-oxomethyl]-5-(3-methylphenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-2-methyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-2-methyl-5-(m-tolyl)-1-(m-tolylcarbamoyl)-4-(2-thenoyl)proline Formula: C33H29N3O4S MolecularWeight: 563.66606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CC(=CC=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CC(=CC=C5)C

InChI

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