ditert-butyl (2E,6E)-4-cyano-4-phenyl-2,6-bis(phenylmethylidene)heptanedioate

Systemtic Name: ditert-butyl (2E,6E)-4-cyano-4-phenyl-2,6-bis(phenylmethylidene)heptanedioate Openeye Name: ditert-butyl (2E,6E)-2,6-dibenzylidene-4-cyano-4-phenyl-heptanedioate CAS Name: (2E,6E)-4-cyano-4-phenyl-2,6-bis(phenylmethylene)heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2E,6E)-2,6-dibenzylidene-4-cyano-4-phenylheptanedioate Traditional Name: (2E,6E)-2,6-dibenzal-4-cyano-4-phenyl-pimelic acid ditert-butyl ester Formula: C36H39NO4 MolecularWeight: 549.69916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H39NO4/c1-34(2,3)40-32(38)29(22-27-16-10-7-11-17-27)24-36(26-37,31-20-14-9-15-21-31)25-30(33(39)41-35(4,5)6)23-28-18-12-8-13-19-28/h7-23H,24-25H2,1-6H3/b29-22+,30-23+