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

Systemtic Name: 3-[2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-carbethoxy-2-(carboxymethyl)-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6/c1-3-20-13(19)12-7(2)8(4-5-10(15)16)9(14-12)6-11(17)18/h14H,3-6H2,1-2H3,(H,15,16)(H,17,18)