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

Systemtic Name: [1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Openeye Name: [1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-4-piperidyl]-[(3S)-3-methyl-1-piperidyl]methanone CAS Name: [1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-piperidinyl]-[(3S)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Traditional Name: [1-(3,5-ditert-butyl-4-hydroxy-benzyl)-4-piperidyl]-[(3S)-3-methylpiperidino]methanone Formula: C27H44N2O2 MolecularWeight: 428.65046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CCN(CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2CCN(CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H44N2O2/c1-19-9-8-12-29(17-19)25(31)21-10-13-28(14-11-21)18-20-15-22(26(2,3)4)24(30)23(16-20)27(5,6)7/h15-16,19,21,30H,8-14,17-18H2,1-7H3/t19-/m0/s1