[(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzoate

Systemtic Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzoate Openeye Name: [(2E)-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2E)-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2E)-3-keto-2-[(1-methylindol-3-yl)methylene]coumaran-6-yl] ester Formula: C26H19NO5 MolecularWeight: 425.43276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H19NO5/c1-27-15-17(20-5-3-4-6-22(20)27)13-24-25(28)21-12-11-19(14-23(21)32-24)31-26(29)16-7-9-18(30-2)10-8-16/h3-15H,1-2H3/b24-13+