3-(2-carboxypyrrolidin-1-yl)-1-[2-(2-methoxyphenoxy)ethanoyl]-2-(2-oxidanylideneethoxy)pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(2-carboxypyrrolidin-1-yl)-1-[2-(2-methoxyphenoxy)ethanoyl]-2-(2-oxidanylideneethoxy)pyrrolidine-2-carboxylic acid Openeye Name: 3-(2-carboxypyrrolidin-1-yl)-1-[2-(2-methoxyphenoxy)acetyl]-2-(2-oxoethoxy)pyrrolidine-2-carboxylic acid CAS Name: 3-(2-carboxy-1-pyrrolidinyl)-1-[2-(2-methoxyphenoxy)-1-oxoethyl]-2-(2-oxoethoxy)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(2-carboxypyrrolidin-1-yl)-1-[2-(2-methoxyphenoxy)acetyl]-2-(2-oxoethoxy)pyrrolidine-2-carboxylic acid Traditional Name: 3-(2-carboxypyrrolidino)-2-(2-ketoethoxy)-1-[2-(2-methoxyphenoxy)acetyl]proline Formula: C21H26N2O9 MolecularWeight: 450.43914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(=O)N2CCC(C2(C(=O)O)OCC=O)N3CCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC=C1OCC(=O)N2CCC(C2(C(=O)O)OCC=O)N3CCCC3C(=O)O

InChI

InChI=1S/C21H26N2O9/c1-30-15-6-2-3-7-16(15)31-13-18(25)23-10-8-17(21(23,20(28)29)32-12-11-24)22-9-4-5-14(22)19(26)27/h2-3,6-7,11,14,17H,4-5,8-10,12-13H2,1H3,(H,26,27)(H,28,29)