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

Systemtic Name: (4-methylphenyl) (4E)-3-methyl-4-(quinolin-2-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: p-tolyl (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 (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) (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 p-tolyl ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O4/c1-16-10-13-19(14-11-16)33-27(32)25-17(2)24-21(8-5-9-23(24)34-25)29-30-26(31)22-15-12-18-6-3-4-7-20(18)28-22/h3-4,6-7,10-15H,5,8-9H2,1-2H3,(H,30,31)/b29-21+