1-[2-[4-[2-(2-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-phenoxy]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[4-[2-(2-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-phenoxy]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[4-[2-(2-carboxypyrrolidin-1-yl)-2-oxo-ethoxy]-3-methoxy-phenoxy]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[4-[2-(2-carboxy-1-pyrrolidinyl)-2-oxoethoxy]-3-methoxyphenoxy]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[4-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethoxy]-3-methoxyphenoxy]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[4-[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/c1-30-17-10-13(31-11-18(24)22-8-2-4-14(22)20(26)27)6-7-16(17)32-12-19(25)23-9-3-5-15(23)21(28)29/h6-7,10,14-15H,2-5,8-9,11-12H2,1H3,(H,26,27)(H,28,29)