bis(2,4-dimethylpentyl) 2-[(4-acetamidophenyl)methylidene]propanedioate

Systemtic Name: bis(2,4-dimethylpentyl) 2-[(4-acetamidophenyl)methylidene]propanedioate Openeye Name: bis(2,4-dimethylpentyl) 2-[(4-acetamidophenyl)methylene]propanedioate CAS Name: 2-[(4-acetamidophenyl)methylidene]propanedioic acid bis(2,4-dimethylpentyl) ester IUPAC Name: bis(2,4-dimethylpentyl) 2-[(4-acetamidophenyl)methylidene]propanedioate Traditional Name: 2-(4-acetamidobenzylidene)malonic acid bis(2,4-dimethylpentyl) ester Formula: C26H39NO5 MolecularWeight: 445.59156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)COC(=O)C(=CC1=CC=C(C=C1)NC(=O)C)C(=O)OCC(C)CC(C)C

Isomeric SMILES

CC(C)CC(C)COC(=O)C(=CC1=CC=C(C=C1)NC(=O)C)C(=O)OCC(C)CC(C)C

InChI

InChI=1S/C26H39NO5/c1-17(2)12-19(5)15-31-25(29)24(26(30)32-16-20(6)13-18(3)4)14-22-8-10-23(11-9-22)27-21(7)28/h8-11,14,17-20H,12-13,15-16H2,1-7H3,(H,27,28)