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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OCC(=O)N2CCCC2C(=O)O)OCC(=O)N3CCCC3C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OCC(=O)N2CCCC2C(=O)O)OCC(=O)N3CCCC3C(=O)O

InChI

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