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

Systemtic Name: 3-[2-(cyanomethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2-(cyanomethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2-(cyanomethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2-(cyanomethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-carbethoxy-2-(cyanomethyl)-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)CC#N)CCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)CC#N)CCC(=O)O)C

InChI

InChI=1S/C13H16N2O4/c1-3-19-13(18)12-8(2)9(4-5-11(16)17)10(15-12)6-7-14/h15H,3-6H2,1-2H3,(H,16,17)