4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)-piperidin-1-yl-methyl]benzenecarbonitrile

Systemtic Name: 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)-piperidin-1-yl-methyl]benzenecarbonitrile Openeye Name: 4-[(3,5-ditert-butyl-4-hydroxy-phenyl)-(1-piperidyl)methyl]benzonitrile CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)-(1-piperidinyl)methyl]benzonitrile IUPAC Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)-piperidin-1-ylmethyl]benzonitrile Traditional Name: 4-[(3,5-ditert-butyl-4-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(=CC(=C1O)C(C)(C)C)C(C2=CC=C(C=C2)C#N)N3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=C(C=C2)C#N)N3CCCCC3

InChI

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