2,6-ditert-butyl-4-[[5-chloranyl-7-(2-pyridin-2-ylethynyl)-1,3-benzoxazol-2-yl]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[5-chloranyl-7-(2-pyridin-2-ylethynyl)-1,3-benzoxazol-2-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[5-chloro-7-[2-(2-pyridyl)ethynyl]-1,3-benzoxazol-2-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[5-chloro-7-[2-(2-pyridinyl)ethynyl]-1,3-benzoxazol-2-yl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[5-chloro-7-(2-pyridin-2-ylethynyl)-1,3-benzoxazol-2-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[5-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(O2)C(=CC(=C3)Cl)C#CC4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=NC3=C(O2)C(=CC(=C3)Cl)C#CC4=CC=CC=N4

InChI

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