ditert-butyl (2E,6E)-4-cyano-4-phenyl-2,6-bis[(4-propan-2-ylphenyl)methylidene]heptanedioate

Systemtic Name: ditert-butyl (2E,6E)-4-cyano-4-phenyl-2,6-bis[(4-propan-2-ylphenyl)methylidene]heptanedioate Openeye Name: ditert-butyl (2E,6E)-4-cyano-2,6-bis[(4-isopropylphenyl)methylene]-4-phenyl-heptanedioate CAS Name: (2E,6E)-4-cyano-4-phenyl-2,6-bis[(4-propan-2-ylphenyl)methylidene]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2E,6E)-4-cyano-4-phenyl-2,6-bis[(4-propan-2-ylphenyl)methylidene]heptanedioate Traditional Name: (2E,6E)-4-cyano-2,6-bis(4-isopropylbenzylidene)-4-phenyl-pimelic acid ditert-butyl ester Formula: C42H51NO4 MolecularWeight: 633.85864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(CC(CC(=CC2=CC=C(C=C2)C(C)C)C(=O)OC(C)(C)C)(C#N)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=C(C=C1)/C=C(/C(=O)OC(C)(C)C)\CC(C2=CC=CC=C2)(C#N)C/C(=C\C3=CC=C(C=C3)C(C)C)/C(=O)OC(C)(C)C)C

InChI

InChI=1S/C42H51NO4/c1-29(2)33-20-16-31(17-21-33)24-35(38(44)46-40(5,6)7)26-42(28-43,37-14-12-11-13-15-37)27-36(39(45)47-41(8,9)10)25-32-18-22-34(23-19-32)30(3)4/h11-25,29-30H,26-27H2,1-10H3/b35-24+,36-25+