(5-methyl-2-propan-2-yl-phenyl) (4E)-3-methyl-4-(pyridin-2-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) (4E)-3-methyl-4-(pyridin-2-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) (4E)-3-methyl-4-(pyridine-2-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[oxo(2-pyridinyl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) (4E)-3-methyl-4-(pyridine-2-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(picolinoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)C4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)C4=CC=CC=N4)C

InChI

InChI=1S/C26H27N3O4/c1-15(2)18-12-11-16(3)14-22(18)33-26(31)24-17(4)23-19(9-7-10-21(23)32-24)28-29-25(30)20-8-5-6-13-27-20/h5-6,8,11-15H,7,9-10H2,1-4H3,(H,29,30)/b28-19+