2-[[2-[(4-tert-butylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[2-[(4-tert-butylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[2-[(4-tert-butylphenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[2-[(4-tert-butylphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[2-[(4-tert-butylphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[2-(4-tert-butylbenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-(cyanomethyl)amino]acetonitrile Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N

InChI

InChI=1S/C24H23N3O3/c1-24(2,3)17-6-4-16(5-7-17)14-21-22(29)18-8-9-20(28)19(23(18)30-21)15-27(12-10-25)13-11-26/h4-9,14,28H,12-13,15H2,1-3H3