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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H30O4 MolecularWeight: 394.5033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC3=C(C=C(C=C3C)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC3=C(C=C(C=C3C)C(C)(C)C)C

InChI

InChI=1S/C25H30O4/c1-8-27-19-9-10-22-20(13-19)17(4)23(29-22)24(26)28-14-21-15(2)11-18(12-16(21)3)25(5,6)7/h9-13H,8,14H2,1-7H3