[(2Z)-2-[(4-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2Z)-2-[(4-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2,2-dimethylpropanoate Openeye Name: [(2Z)-3-oxo-2-(p-tolylmethylene)benzofuran-6-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2Z)-3-keto-2-(4-methylbenzylidene)coumaran-6-yl] ester Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C(C)(C)C

InChI

InChI=1S/C21H20O4/c1-13-5-7-14(8-6-13)11-18-19(22)16-10-9-15(12-17(16)25-18)24-20(23)21(2,3)4/h5-12H,1-4H3/b18-11-