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

Systemtic Name: ditert-butyl (2E,6E)-4,4-dicyano-2,6-bis[(4-ethylphenyl)methylidene]heptanedioate Openeye Name: ditert-butyl (2E,6E)-4,4-dicyano-2,6-bis[(4-ethylphenyl)methylene]heptanedioate CAS Name: (2E,6E)-4,4-dicyano-2,6-bis[(4-ethylphenyl)methylidene]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2E,6E)-4,4-dicyano-2,6-bis[(4-ethylphenyl)methylidene]heptanedioate Traditional Name: (2E,6E)-4,4-dicyano-2,6-bis(4-ethylbenzylidene)pimelic acid ditert-butyl ester Formula: C35H42N2O4 MolecularWeight: 554.71898

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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)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C(/C(=O)OC(C)(C)C)\CC(C#N)(C#N)C/C(=C\C2=CC=C(C=C2)CC)/C(=O)OC(C)(C)C

InChI

InChI=1S/C35H42N2O4/c1-9-25-11-15-27(16-12-25)19-29(31(38)40-33(3,4)5)21-35(23-36,24-37)22-30(32(39)41-34(6,7)8)20-28-17-13-26(10-2)14-18-28/h11-20H,9-10,21-22H2,1-8H3/b29-19+,30-20+