3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid

Systemtic Name: 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid Openeye Name: 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid CAS Name: 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid IUPAC Name: 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid Traditional Name: 3-(4-carbethoxy-2,5-dimethyl-1H-pyrrol-3-yl)propionic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1CCC(=O)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1CCC(=O)O)C)C

InChI

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