bis(5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-acetamidophenyl)methylidene]propanedioate

Systemtic Name: bis(5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-acetamidophenyl)methylidene]propanedioate Openeye Name: bis(2-isopropyl-5-methyl-cyclohexyl) 2-[(4-acetamidophenyl)methylene]propanedioate CAS Name: 2-[(4-acetamidophenyl)methylidene]propanedioic acid bis(5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: bis(5-methyl-2-propan-2-ylcyclohexyl) 2-[(4-acetamidophenyl)methylidene]propanedioate Traditional Name: 2-(4-acetamidobenzylidene)malonic acid bis(2-isopropyl-5-methyl-cyclohexyl) ester Formula: C32H47NO5 MolecularWeight: 525.71928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=CC2=CC=C(C=C2)NC(=O)C)C(=O)OC3CC(CCC3C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C(=CC2=CC=C(C=C2)NC(=O)C)C(=O)OC3CC(CCC3C(C)C)C)C(C)C

InChI

InChI=1S/C32H47NO5/c1-19(2)26-14-8-21(5)16-29(26)37-31(35)28(18-24-10-12-25(13-11-24)33-23(7)34)32(36)38-30-17-22(6)9-15-27(30)20(3)4/h10-13,18-22,26-27,29-30H,8-9,14-17H2,1-7H3,(H,33,34)