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

Systemtic Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-1-[(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-1-(m-tolylcarbamoyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-1-[(3-methylanilino)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-1-[(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-5-(4-cyanophenyl)-1-(m-tolylcarbamoyl)proline Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(CC(C2C3=CC=C(C=C3)C#N)C(=O)OC)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(CC(C2C3=CC=C(C=C3)C#N)C(=O)OC)C(=O)O

InChI

InChI=1S/C22H21N3O5/c1-13-4-3-5-16(10-13)24-22(29)25-18(20(26)27)11-17(21(28)30-2)19(25)15-8-6-14(12-23)7-9-15/h3-10,17-19H,11H2,1-2H3,(H,24,29)(H,26,27)