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

Systemtic Name: ditert-butyl (2E,6E)-4,4-dicyano-2,6-bis(phenylmethylidene)heptanedioate Openeye Name: ditert-butyl (2E,6E)-2,6-dibenzylidene-4,4-dicyano-heptanedioate CAS Name: (2E,6E)-4,4-dicyano-2,6-bis(phenylmethylene)heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2E,6E)-2,6-dibenzylidene-4,4-dicyanoheptanedioate Traditional Name: (2E,6E)-2,6-dibenzal-4,4-dicyano-pimelic acid ditert-butyl ester Formula: C31H34N2O4 MolecularWeight: 498.61266

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C31H34N2O4/c1-29(2,3)36-27(34)25(17-23-13-9-7-10-14-23)19-31(21-32,22-33)20-26(28(35)37-30(4,5)6)18-24-15-11-8-12-16-24/h7-18H,19-20H2,1-6H3/b25-17+,26-18+