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

Systemtic Name: 3-[2-(bromomethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2-(bromomethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2-(bromomethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2-(bromomethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[2-(bromomethyl)-5-carbethoxy-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C12H16BrNO4 MolecularWeight: 318.16374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNO4/c1-3-18-12(17)11-7(2)8(4-5-10(15)16)9(6-13)14-11/h14H,3-6H2,1-2H3,(H,15,16)