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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C29H30O4 MolecularWeight: 442.5461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C29H30O4/c1-19-15-21(29(3,4)5)16-20(2)24(19)17-32-28(30)27-25(18-31-22-11-7-6-8-12-22)23-13-9-10-14-26(23)33-27/h6-16H,17-18H2,1-5H3