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

Systemtic Name: ditert-butyl (2E,6E)-4-cyano-2,6-bis[(2-methylphenyl)methylidene]-4-phenyl-heptanedioate Openeye Name: ditert-butyl (2E,6E)-4-cyano-2,6-bis(o-tolylmethylene)-4-phenyl-heptanedioate CAS Name: (2E,6E)-4-cyano-2,6-bis[(2-methylphenyl)methylidene]-4-phenylheptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2E,6E)-4-cyano-2,6-bis[(2-methylphenyl)methylidene]-4-phenylheptanedioate Traditional Name: (2E,6E)-4-cyano-2,6-bis(2-methylbenzylidene)-4-phenyl-pimelic acid ditert-butyl ester Formula: C38H43NO4 MolecularWeight: 577.75232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(CC(CC(=CC2=CC=CC=C2C)C(=O)OC(C)(C)C)(C#N)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1/C=C(/C(=O)OC(C)(C)C)\CC(C2=CC=CC=C2)(C#N)C/C(=C\C3=CC=CC=C3C)/C(=O)OC(C)(C)C

InChI

InChI=1S/C38H43NO4/c1-27-16-12-14-18-29(27)22-31(34(40)42-36(3,4)5)24-38(26-39,33-20-10-9-11-21-33)25-32(35(41)43-37(6,7)8)23-30-19-15-13-17-28(30)2/h9-23H,24-25H2,1-8H3/b31-22+,32-23+