4-cyano-6-methoxycarbonyl-2-methyl-2-[2-methyl-3-oxidanylidene-3-[2-(4-oxidanylidene-4-prop-2-enoxy-butanoyl)oxyethoxy]propyl]octanoic acid

Systemtic Name: 4-cyano-6-methoxycarbonyl-2-methyl-2-[2-methyl-3-oxidanylidene-3-[2-(4-oxidanylidene-4-prop-2-enoxy-butanoyl)oxyethoxy]propyl]octanoic acid Openeye Name: 2-[3-[2-(4-allyloxy-4-oxo-butanoyl)oxyethoxy]-2-methyl-3-oxo-propyl]-4-cyano-6-methoxycarbonyl-2-methyl-octanoic acid CAS Name: 4-cyano-2-[3-[2-(1,4-dioxo-4-prop-2-enoxybutoxy)ethoxy]-2-methyl-3-oxopropyl]-6-methoxycarbonyl-2-methyloctanoic acid IUPAC Name: 4-cyano-6-methoxycarbonyl-2-methyl-2-[2-methyl-3-oxo-3-[2-(4-oxo-4-prop-2-enoxybutanoyl)oxyethoxy]propyl]octanoic acid Traditional Name: 2-[3-[2-(4-allyloxy-4-keto-butanoyl)oxyethoxy]-3-keto-2-methyl-propyl]-6-carbomethoxy-4-cyano-2-methyl-caprylic acid Formula: C25H37NO10 MolecularWeight: 511.56198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)(CC(C)C(=O)OCCOC(=O)CCC(=O)OCC=C)C(=O)O)C#N)C(=O)OC

Isomeric SMILES

CCC(CC(CC(C)(CC(C)C(=O)OCCOC(=O)CCC(=O)OCC=C)C(=O)O)C#N)C(=O)OC

InChI

InChI=1S/C25H37NO10/c1-6-10-34-20(27)8-9-21(28)35-11-12-36-22(29)17(3)14-25(4,24(31)32)15-18(16-26)13-19(7-2)23(30)33-5/h6,17-19H,1,7-15H2,2-5H3,(H,31,32)