5,7-ditert-butyl-3-phenyl-2H-1,3-benzoxazole

Systemtic Name: 5,7-ditert-butyl-3-phenyl-2H-1,3-benzoxazole Openeye Name: 5,7-ditert-butyl-3-phenyl-2H-1,3-benzoxazole CAS Name: 5,7-ditert-butyl-3-phenyl-2H-1,3-benzoxazole IUPAC Name: 5,7-ditert-butyl-3-phenyl-2H-1,3-benzoxazole Traditional Name: 5,7-ditert-butyl-3-phenyl-2H-1,3-benzoxazole Formula: C21H27NO MolecularWeight: 309.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)N(CO2)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)N(CO2)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C21H27NO/c1-20(2,3)15-12-17(21(4,5)6)19-18(13-15)22(14-23-19)16-10-8-7-9-11-16/h7-13H,14H2,1-6H3