5-[(3,5-ditert-butyl-2-oxidanyl-phenyl)-piperidin-1-yl-methyl]benzene-1,3-dicarbonitrile

Systemtic Name: 5-[(3,5-ditert-butyl-2-oxidanyl-phenyl)-piperidin-1-yl-methyl]benzene-1,3-dicarbonitrile Openeye Name: 5-[(3,5-ditert-butyl-2-hydroxy-phenyl)-(1-piperidyl)methyl]benzene-1,3-dicarbonitrile CAS Name: 5-[(3,5-ditert-butyl-2-hydroxyphenyl)-(1-piperidinyl)methyl]benzene-1,3-dicarbonitrile IUPAC Name: 5-[(3,5-ditert-butyl-2-hydroxyphenyl)-piperidin-1-ylmethyl]benzene-1,3-dicarbonitrile Traditional Name: 5-[(3,5-ditert-butyl-2-hydroxy-phenyl)-piperidino-methyl]isophthalonitrile Formula: C28H35N3O MolecularWeight: 429.597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C2=CC(=CC(=C2)C#N)C#N)N3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C2=CC(=CC(=C2)C#N)C#N)N3CCCCC3

InChI

InChI=1S/C28H35N3O/c1-27(2,3)22-15-23(26(32)24(16-22)28(4,5)6)25(31-10-8-7-9-11-31)21-13-19(17-29)12-20(14-21)18-30/h12-16,25,32H,7-11H2,1-6H3