ditert-butyl (2E,6E)-2,6-bis[(3-chlorophenyl)methylidene]-4-cyano-4-phenyl-heptanedioate

Systemtic Name: ditert-butyl (2E,6E)-2,6-bis[(3-chlorophenyl)methylidene]-4-cyano-4-phenyl-heptanedioate Openeye Name: ditert-butyl (2E,6E)-2,6-bis[(3-chlorophenyl)methylene]-4-cyano-4-phenyl-heptanedioate CAS Name: (2E,6E)-2,6-bis[(3-chlorophenyl)methylidene]-4-cyano-4-phenylheptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2E,6E)-2,6-bis[(3-chlorophenyl)methylidene]-4-cyano-4-phenylheptanedioate Traditional Name: (2E,6E)-2,6-bis(3-chlorobenzylidene)-4-cyano-4-phenyl-pimelic acid ditert-butyl ester Formula: C36H37Cl2NO4 MolecularWeight: 618.58928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=CC1=CC(=CC=C1)Cl)CC(CC(=CC2=CC(=CC=C2)Cl)C(=O)OC(C)(C)C)(C#N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C36H37Cl2NO4/c1-34(2,3)42-32(40)27(18-25-12-10-16-30(37)20-25)22-36(24-39,29-14-8-7-9-15-29)23-28(33(41)43-35(4,5)6)19-26-13-11-17-31(38)21-26/h7-21H,22-23H2,1-6H3/b27-18+,28-19+