tert-butyl 2-[5-methyl-2-oxidanylidene-3-(2-phenylmethoxyphenyl)-1-benzofuran-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-methyl-2-oxidanylidene-3-(2-phenylmethoxyphenyl)-1-benzofuran-3-yl]ethanoate Openeye Name: tert-butyl 2-[3-(2-benzyloxyphenyl)-5-methyl-2-oxo-benzofuran-3-yl]acetate CAS Name: 2-[5-methyl-2-oxo-3-(2-phenylmethoxyphenyl)-3-benzofuranyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-methyl-2-oxo-3-(2-phenylmethoxyphenyl)-1-benzofuran-3-yl]acetate Traditional Name: 2-[3-(2-benzoxyphenyl)-2-keto-5-methyl-coumaran-3-yl]acetic acid tert-butyl ester Formula: C28H28O5 MolecularWeight: 444.51892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C2(CC(=O)OC(C)(C)C)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C2(CC(=O)OC(C)(C)C)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C28H28O5/c1-19-14-15-24-22(16-19)28(26(30)32-24,17-25(29)33-27(2,3)4)21-12-8-9-13-23(21)31-18-20-10-6-5-7-11-20/h5-16H,17-18H2,1-4H3