[2-[(4-ethylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-methylpropanoate

Systemtic Name: [2-[(4-ethylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-methylpropanoate Openeye Name: [2-[(4-ethylphenyl)methylene]-3-oxo-benzofuran-6-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-[(4-ethylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(4-ethylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-(4-ethylbenzylidene)-3-keto-coumaran-6-yl] ester Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C(C)C

InChI

InChI=1S/C21H20O4/c1-4-14-5-7-15(8-6-14)11-19-20(22)17-10-9-16(12-18(17)25-19)24-21(23)13(2)3/h5-13H,4H2,1-3H3