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

Systemtic Name: 1-[2-[2-[2-(2-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethoxy]-3-methyl-phenoxy]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[2-[2-(2-carboxypyrrolidin-1-yl)-2-oxo-ethoxy]-3-methyl-phenoxy]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[2-[2-(2-carboxy-1-pyrrolidinyl)-2-oxoethoxy]-3-methylphenoxy]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[2-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethoxy]-3-methylphenoxy]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[2-[2-(2-carboxypyrrolidino)-2-keto-ethoxy]-3-methyl-phenoxy]acetyl]proline Formula: C21H26N2O8 MolecularWeight: 434.43974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)N2CCCC2C(=O)O)OCC(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N2CCCC2C(=O)O)OCC(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C21H26N2O8/c1-13-5-2-8-16(30-11-17(24)22-9-3-6-14(22)20(26)27)19(13)31-12-18(25)23-10-4-7-15(23)21(28)29/h2,5,8,14-15H,3-4,6-7,9-12H2,1H3,(H,26,27)(H,28,29)