(4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H25BrO3 MolecularWeight: 429.3468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C)C)C(C)(C)C

InChI

InChI=1S/C23H25BrO3/c1-13-9-16(23(4,5)6)10-14(2)19(13)12-26-22(25)21-15(3)18-11-17(24)7-8-20(18)27-21/h7-11H,12H2,1-6H3