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

Systemtic Name: 2,6-ditert-butyl-4-[[4-chloranyl-7-(2-pyridin-2-ylethynyl)-1,3-benzoxazol-2-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[4-chloro-7-[2-(2-pyridyl)ethynyl]-1,3-benzoxazol-2-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-chloro-7-[2-(2-pyridinyl)ethynyl]-1,3-benzoxazol-2-yl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[4-chloro-7-(2-pyridin-2-ylethynyl)-1,3-benzoxazol-2-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[4-chloro-7-[2-(2-pyridyl)ethynyl]-1,3-benzoxazol-2-yl]methyl]phenol Formula: C29H29ClN2O2 MolecularWeight: 473.00576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29ClN2O2/c1-28(2,3)21-15-18(16-22(26(21)33)29(4,5)6)17-24-32-25-23(30)13-11-19(27(25)34-24)10-12-20-9-7-8-14-31-20/h7-9,11,13-16,33H,17H2,1-6H3