2-[[3-(2-carboxyethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]methyl]propanedioic acid

Systemtic Name: 2-[[3-(2-carboxyethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]methyl]propanedioic acid Openeye Name: 2-[[3-(2-carboxyethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]methyl]propanedioic acid CAS Name: 2-[[3-(2-carboxyethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]methyl]propanedioic acid IUPAC Name: 2-[[3-(2-carboxyethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]methyl]propanedioic acid Traditional Name: 2-[[5-carbethoxy-3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl]malonic acid Formula: C15H19NO8 MolecularWeight: 341.31326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)CC(C(=O)O)C(=O)O)CCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)CC(C(=O)O)C(=O)O)CCC(=O)O)C

InChI

InChI=1S/C15H19NO8/c1-3-24-15(23)12-7(2)8(4-5-11(17)18)10(16-12)6-9(13(19)20)14(21)22/h9,16H,3-6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)