3-(5-ethoxycarbonyl-4-ethyl-2-methyl-1H-pyrrol-3-yl)propanoic acid

Systemtic Name: 3-(5-ethoxycarbonyl-4-ethyl-2-methyl-1H-pyrrol-3-yl)propanoic acid Openeye Name: 3-(5-ethoxycarbonyl-4-ethyl-2-methyl-1H-pyrrol-3-yl)propanoic acid CAS Name: 3-(5-ethoxycarbonyl-4-ethyl-2-methyl-1H-pyrrol-3-yl)propanoic acid IUPAC Name: 3-(5-ethoxycarbonyl-4-ethyl-2-methyl-1H-pyrrol-3-yl)propanoic acid Traditional Name: 3-(5-carbethoxy-4-ethyl-2-methyl-1H-pyrrol-3-yl)propionic acid Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1CCC(=O)O)C)C(=O)OCC

Isomeric SMILES

CCC1=C(NC(=C1CCC(=O)O)C)C(=O)OCC

InChI

InChI=1S/C13H19NO4/c1-4-9-10(6-7-11(15)16)8(3)14-12(9)13(17)18-5-2/h14H,4-7H2,1-3H3,(H,15,16)