1-[2-[3-[2-(2-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethoxy]-5-cyano-phenoxy]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[3-[2-(2-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethoxy]-5-cyano-phenoxy]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[3-[2-(2-carboxypyrrolidin-1-yl)-2-oxo-ethoxy]-5-cyano-phenoxy]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[3-[2-(2-carboxy-1-pyrrolidinyl)-2-oxoethoxy]-5-cyanophenoxy]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[3-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethoxy]-5-cyanophenoxy]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[3-[2-(2-carboxypyrrolidino)-2-keto-ethoxy]-5-cyano-phenoxy]acetyl]proline Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC2=CC(=CC(=C2)C#N)OCC(=O)N3CCCC3C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)COC2=CC(=CC(=C2)C#N)OCC(=O)N3CCCC3C(=O)O)C(=O)O

InChI

InChI=1S/C21H23N3O8/c22-10-13-7-14(31-11-18(25)23-5-1-3-16(23)20(27)28)9-15(8-13)32-12-19(26)24-6-2-4-17(24)21(29)30/h7-9,16-17H,1-6,11-12H2,(H,27,28)(H,29,30)