5,7-ditert-butyl-2-(4-fluoranyl-3-phenoxy-phenyl)-1,3-benzoxazole

Systemtic Name: 5,7-ditert-butyl-2-(4-fluoranyl-3-phenoxy-phenyl)-1,3-benzoxazole Openeye Name: 5,7-ditert-butyl-2-(4-fluoro-3-phenoxy-phenyl)-1,3-benzoxazole CAS Name: 5,7-ditert-butyl-2-(4-fluoro-3-phenoxyphenyl)-1,3-benzoxazole IUPAC Name: 5,7-ditert-butyl-2-(4-fluoro-3-phenoxyphenyl)-1,3-benzoxazole Traditional Name: 5,7-ditert-butyl-2-(4-fluoro-3-phenoxy-phenyl)-1,3-benzoxazole Formula: C27H28FNO2 MolecularWeight: 417.515123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)F)OC4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)F)OC4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C27H28FNO2/c1-26(2,3)18-15-20(27(4,5)6)24-22(16-18)29-25(31-24)17-12-13-21(28)23(14-17)30-19-10-8-7-9-11-19/h7-16H,1-6H3