2-[2-(4-iodanylbutyl)-3-methoxycarbonyl-4-methyl-pyrrol-2-yl]ethanoate

Systemtic Name: 2-[2-(4-iodanylbutyl)-3-methoxycarbonyl-4-methyl-pyrrol-2-yl]ethanoate Openeye Name: 2-[2-(4-iodobutyl)-3-methoxycarbonyl-4-methyl-pyrrol-2-yl]acetate CAS Name: 2-[2-(4-iodobutyl)-3-methoxycarbonyl-4-methyl-2-pyrrolyl]acetate IUPAC Name: 2-[2-(4-iodobutyl)-3-methoxycarbonyl-4-methylpyrrol-2-yl]acetate Traditional Name: 2-[3-carbomethoxy-2-(4-iodobutyl)-4-methyl-pyrrol-2-yl]acetate Formula: C13H17INO4- MolecularWeight: 378.18285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C1)(CCCCI)CC(=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(N=C1)(CCCCI)CC(=O)[O-])C(=O)OC

InChI

InChI=1S/C13H18INO4/c1-9-8-15-13(7-10(16)17,5-3-4-6-14)11(9)12(18)19-2/h8H,3-7H2,1-2H3,(H,16,17)/p-1