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

Systemtic Name: 3-[(3,5-ditert-butyl-2-oxidanyl-phenyl)-piperidin-1-yl-methyl]benzenecarbonitrile Openeye Name: 3-[(3,5-ditert-butyl-2-hydroxy-phenyl)-(1-piperidyl)methyl]benzonitrile CAS Name: 3-[(3,5-ditert-butyl-2-hydroxyphenyl)-(1-piperidinyl)methyl]benzonitrile IUPAC Name: 3-[(3,5-ditert-butyl-2-hydroxyphenyl)-piperidin-1-ylmethyl]benzonitrile Traditional Name: 3-[(3,5-ditert-butyl-2-hydroxy-phenyl)-piperidino-methyl]benzonitrile Formula: C27H36N2O MolecularWeight: 404.58754

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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)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O/c1-26(2,3)21-16-22(25(30)23(17-21)27(4,5)6)24(29-13-8-7-9-14-29)20-12-10-11-19(15-20)18-28/h10-12,15-17,24,30H,7-9,13-14H2,1-6H3