(4-tert-butylphenyl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (4-tert-butylbenzyl) ester Formula: C21H21BrO3 MolecularWeight: 401.29364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H21BrO3/c1-13-17-11-16(22)9-10-18(17)25-19(13)20(23)24-12-14-5-7-15(8-6-14)21(2,3)4/h5-11H,12H2,1-4H3