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

Systemtic Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-5-(4-cyanophenyl)-4-methoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-5-(4-cyanophenyl)-1-(phenylcarbamoyl)proline Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N(C1C2=CC=C(C=C2)C#N)C(=O)NC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC(=O)C1CC(N(C1C2=CC=C(C=C2)C#N)C(=O)NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H19N3O5/c1-29-20(27)16-11-17(19(25)26)24(21(28)23-15-5-3-2-4-6-15)18(16)14-9-7-13(12-22)8-10-14/h2-10,16-18H,11H2,1H3,(H,23,28)(H,25,26)