2,6-ditert-butyl-4-[[7-(2-pyridin-2-ylethynyl)-1,3-benzoxazol-2-yl]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[7-(2-pyridin-2-ylethynyl)-1,3-benzoxazol-2-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[7-[2-(2-pyridyl)ethynyl]-1,3-benzoxazol-2-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[7-[2-(2-pyridinyl)ethynyl]-1,3-benzoxazol-2-yl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[7-(2-pyridin-2-ylethynyl)-1,3-benzoxazol-2-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[7-[2-(2-pyridyl)ethynyl]-1,3-benzoxazol-2-yl]methyl]phenol Formula: C29H30N2O2 MolecularWeight: 438.5607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=NC3=CC=CC(=C3O2)C#CC4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=NC3=CC=CC(=C3O2)C#CC4=CC=CC=N4

InChI

InChI=1S/C29H30N2O2/c1-28(2,3)22-16-19(17-23(26(22)32)29(4,5)6)18-25-31-24-12-9-10-20(27(24)33-25)13-14-21-11-7-8-15-30-21/h7-12,15-17,32H,18H2,1-6H3