5-ethoxycarbonyl-2-methyl-4-propyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-2-methyl-4-propyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-ethoxycarbonyl-2-methyl-4-propyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-ethoxycarbonyl-2-methyl-4-propyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-ethoxycarbonyl-2-methyl-4-propyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-carbethoxy-2-methyl-4-propyl-1H-pyrrole-3-carboxylic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=C1C(=O)O)C)C(=O)OCC

Isomeric SMILES

CCCC1=C(NC(=C1C(=O)O)C)C(=O)OCC

InChI

InChI=1S/C12H17NO4/c1-4-6-8-9(11(14)15)7(3)13-10(8)12(16)17-5-2/h13H,4-6H2,1-3H3,(H,14,15)