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

Systemtic Name: (3,5-dimethylphenyl) (4E)-3-methyl-4-(quinolin-2-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (3,5-dimethylphenyl) (4E)-3-methyl-4-(quinoline-2-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[oxo(2-quinolinyl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) (4E)-3-methyl-4-(quinoline-2-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(quinaldoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid (3,5-dimethylphenyl) ester Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)C4=NC5=CC=CC=C5C=C4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)C4=NC5=CC=CC=C5C=C4)C)C

InChI

InChI=1S/C28H25N3O4/c1-16-13-17(2)15-20(14-16)34-28(33)26-18(3)25-22(9-6-10-24(25)35-26)30-31-27(32)23-12-11-19-7-4-5-8-21(19)29-23/h4-5,7-8,11-15H,6,9-10H2,1-3H3,(H,31,32)/b30-22+