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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(=O)N2CCC(C2(C(=O)O)OCC=O)N3CCCC3C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)OCC(=O)N2CCC(C2(C(=O)O)OCC=O)N3CCCC3C(=O)O

InChI

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