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

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) (4E)-3-methyl-4-(pyridin-3-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) (4E)-3-methyl-4-(pyridine-3-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[oxo(3-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-3-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(nicotinoylhydrazono)-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=CN=CC=C4)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=CN=CC=C4)C

InChI

InChI=1S/C26H27N3O4/c1-15(2)19-11-10-16(3)13-22(19)33-26(31)24-17(4)23-20(8-5-9-21(23)32-24)28-29-25(30)18-7-6-12-27-14-18/h6-7,10-15H,5,8-9H2,1-4H3,(H,29,30)/b28-20+