4,6-dicyano-6-(2-methoxyethoxycarbonyl)-2,2-dimethyl-4-propoxycarbonyl-octanoic acid

Systemtic Name: 4,6-dicyano-6-(2-methoxyethoxycarbonyl)-2,2-dimethyl-4-propoxycarbonyl-octanoic acid Openeye Name: 4,6-dicyano-6-(2-methoxyethoxycarbonyl)-2,2-dimethyl-4-propoxycarbonyl-octanoic acid CAS Name: 4,6-dicyano-6-[2-methoxyethoxy(oxo)methyl]-2,2-dimethyl-4-[oxo(propoxy)methyl]octanoic acid IUPAC Name: 4,6-dicyano-6-(2-methoxyethoxycarbonyl)-2,2-dimethyl-4-propoxycarbonyloctanoic acid Traditional Name: 4,6-dicyano-6-(2-methoxyethoxycarbonyl)-2,2-dimethyl-4-propoxycarbonyl-caprylic acid Formula: C20H30N2O7 MolecularWeight: 410.4614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC(C)(C)C(=O)O)(CC(CC)(C#N)C(=O)OCCOC)C#N

Isomeric SMILES

CCCOC(=O)C(CC(C)(C)C(=O)O)(CC(CC)(C#N)C(=O)OCCOC)C#N

InChI

InChI=1S/C20H30N2O7/c1-6-8-28-17(26)20(14-22,11-18(3,4)15(23)24)12-19(7-2,13-21)16(25)29-10-9-27-5/h6-12H2,1-5H3,(H,23,24)