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

Systemtic Name: 2-cyano-3-[2-[[3-(2-cyano-3-oxidanyl-3-oxidanylidene-propyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]methyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 2-cyano-3-[2-[[3-(2-cyano-3-hydroxy-3-oxo-propyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]methyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 2-cyano-3-[2-[[3-(2-cyano-3-hydroxy-3-oxopropyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]methyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 2-cyano-3-[2-[[3-(2-cyano-3-hydroxy-3-oxopropyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]methyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-carbethoxy-2-[[5-carbethoxy-3-(2-cyano-3-hydroxy-3-keto-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]-2-cyano-propionic acid Formula: C25H28N4O8 MolecularWeight: 512.51182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)CC2=C(C(=C(N2)C(=O)OCC)C)CC(C#N)C(=O)O)CC(C#N)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)CC2=C(C(=C(N2)C(=O)OCC)C)CC(C#N)C(=O)O)CC(C#N)C(=O)O)C

InChI

InChI=1S/C25H28N4O8/c1-5-36-24(34)20-12(3)16(7-14(10-26)22(30)31)18(28-20)9-19-17(8-15(11-27)23(32)33)13(4)21(29-19)25(35)37-6-2/h14-15,28-29H,5-9H2,1-4H3,(H,30,31)(H,32,33)