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

Systemtic Name: 1-[2-[3-[2-(2-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethoxy]-5-methoxy-phenoxy]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[3-[2-(2-carboxypyrrolidin-1-yl)-2-oxo-ethoxy]-5-methoxy-phenoxy]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[3-[2-(2-carboxy-1-pyrrolidinyl)-2-oxoethoxy]-5-methoxyphenoxy]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[3-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethoxy]-5-methoxyphenoxy]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[3-[2-(2-carboxypyrrolidino)-2-keto-ethoxy]-5-methoxy-phenoxy]acetyl]proline Formula: C21H26N2O9 MolecularWeight: 450.43914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O9/c1-30-13-8-14(31-11-18(24)22-6-2-4-16(22)20(26)27)10-15(9-13)32-12-19(25)23-7-3-5-17(23)21(28)29/h8-10,16-17H,2-7,11-12H2,1H3,(H,26,27)(H,28,29)