[2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclohexanecarboxylate

Systemtic Name: [2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclohexanecarboxylate Openeye Name: [2-[(5-bromo-2-methoxy-phenyl)methylene]-3-oxo-benzofuran-6-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-(5-bromo-2-methoxy-benzylidene)-3-keto-coumaran-6-yl] ester Formula: C23H21BrO5 MolecularWeight: 457.31384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4CCCCC4

InChI

InChI=1S/C23H21BrO5/c1-27-19-10-7-16(24)11-15(19)12-21-22(25)18-9-8-17(13-20(18)29-21)28-23(26)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3