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

Systemtic Name: ditert-butyl (2E,6E)-4,4-dicyano-2,6-bis[(2-methylphenyl)methylidene]heptanedioate Openeye Name: ditert-butyl (2E,6E)-4,4-dicyano-2,6-bis(o-tolylmethylene)heptanedioate CAS Name: (2E,6E)-4,4-dicyano-2,6-bis[(2-methylphenyl)methylidene]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2E,6E)-4,4-dicyano-2,6-bis[(2-methylphenyl)methylidene]heptanedioate Traditional Name: (2E,6E)-4,4-dicyano-2,6-bis(2-methylbenzylidene)pimelic acid ditert-butyl ester Formula: C33H38N2O4 MolecularWeight: 526.66582

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

Isomeric SMILES

CC1=CC=CC=C1/C=C(/C(=O)OC(C)(C)C)\CC(C#N)(C#N)C/C(=C\C2=CC=CC=C2C)/C(=O)OC(C)(C)C

InChI

InChI=1S/C33H38N2O4/c1-23-13-9-11-15-25(23)17-27(29(36)38-31(3,4)5)19-33(21-34,22-35)20-28(30(37)39-32(6,7)8)18-26-16-12-10-14-24(26)2/h9-18H,19-20H2,1-8H3/b27-17+,28-18+