(2-methylquinolin-8-yl) (4E)-3-methyl-4-(2-phenylethanoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (2-methylquinolin-8-yl) (4E)-3-methyl-4-(2-phenylethanoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (2-methyl-8-quinolyl) (4E)-3-methyl-4-[(2-phenylacetyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[(1-oxo-2-phenylethyl)hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) (4E)-3-methyl-4-[(2-phenylacetyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-[(2-phenylacetyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (2-methyl-8-quinolyl) ester Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C4=C(O3)CCCC4=NNC(=O)CC5=CC=CC=C5)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C\4=C(O3)CCC/C4=N\NC(=O)CC5=CC=CC=C5)C)C=C1

InChI

InChI=1S/C28H25N3O4/c1-17-14-15-20-10-6-13-23(26(20)29-17)35-28(33)27-18(2)25-21(11-7-12-22(25)34-27)30-31-24(32)16-19-8-4-3-5-9-19/h3-6,8-10,13-15H,7,11-12,16H2,1-2H3,(H,31,32)/b30-21+