5-(4-cyanophenyl)-4-methoxycarbonyl-3-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-3-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-3-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-5-(4-cyanophenyl)-4-methoxycarbonyl-3-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-3-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-5-(4-cyanophenyl)-3-methyl-1-(phenylcarbamoyl)proline Formula: C22H21N3O5 MolecularWeight: 407.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(N(C1C(=O)O)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C#N)C(=O)OC

Isomeric SMILES

CC1C(C(N(C1C(=O)O)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C#N)C(=O)OC

InChI

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