3-[2-(2-cyano-3-ethoxy-3-oxidanylidene-propyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[2-(2-cyano-3-ethoxy-3-oxidanylidene-propyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2-(2-cyano-3-ethoxy-3-oxo-propyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2-(2-cyano-3-ethoxy-3-oxopropyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2-(2-cyano-3-ethoxy-3-oxopropyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-carbethoxy-2-(2-cyano-3-ethoxy-3-keto-propyl)-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6/c1-4-24-16(22)11(9-18)8-13-12(6-7-14(20)21)10(3)15(19-13)17(23)25-5-2/h11,19H,4-8H2,1-3H3,(H,20,21)