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

Systemtic Name: ditert-butyl (2E,6E)-4-cyano-2,6-bis[(4-ethylphenyl)methylidene]-4-phenyl-heptanedioate Openeye Name: ditert-butyl (2E,6E)-4-cyano-2,6-bis[(4-ethylphenyl)methylene]-4-phenyl-heptanedioate CAS Name: (2E,6E)-4-cyano-2,6-bis[(4-ethylphenyl)methylidene]-4-phenylheptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2E,6E)-4-cyano-2,6-bis[(4-ethylphenyl)methylidene]-4-phenylheptanedioate Traditional Name: (2E,6E)-4-cyano-2,6-bis(4-ethylbenzylidene)-4-phenyl-pimelic acid ditert-butyl ester Formula: C40H47NO4 MolecularWeight: 605.80548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C(CC(CC(=CC2=CC=C(C=C2)CC)C(=O)OC(C)(C)C)(C#N)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=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)CC)/C(=O)OC(C)(C)C

InChI

InChI=1S/C40H47NO4/c1-9-29-16-20-31(21-17-29)24-33(36(42)44-38(3,4)5)26-40(28-41,35-14-12-11-13-15-35)27-34(37(43)45-39(6,7)8)25-32-22-18-30(10-2)19-23-32/h11-25H,9-10,26-27H2,1-8H3/b33-24+,34-25+