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

Systemtic Name: [(2Z)-2-[(4-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-methylpropanoate Openeye Name: [(2Z)-3-oxo-2-(p-tolylmethylene)benzofuran-6-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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-methylpropanoate Traditional Name: 2-methylpropionic acid [(2Z)-3-keto-2-(4-methylbenzylidene)coumaran-6-yl] ester Formula: C20H18O4 MolecularWeight: 322.35452

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H18O4/c1-12(2)20(22)23-15-8-9-16-17(11-15)24-18(19(16)21)10-14-6-4-13(3)5-7-14/h4-12H,1-3H3/b18-10-