(3,5-dimethylphenyl) (4E)-3-methyl-4-(2-phenoxyethanoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (3,5-dimethylphenyl) (4E)-3-methyl-4-(2-phenoxyethanoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (3,5-dimethylphenyl) (4E)-3-methyl-4-[(2-phenoxyacetyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[(1-oxo-2-phenoxyethyl)hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) (4E)-3-methyl-4-[(2-phenoxyacetyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-[(2-phenoxyacetyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (3,5-dimethylphenyl) ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)COC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)COC4=CC=CC=C4)C)C

InChI

InChI=1S/C26H26N2O5/c1-16-12-17(2)14-20(13-16)32-26(30)25-18(3)24-21(10-7-11-22(24)33-25)27-28-23(29)15-31-19-8-5-4-6-9-19/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3,(H,28,29)/b27-21+