[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclohexanecarboxylate

Systemtic Name: [2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclohexanecarboxylate Openeye Name: [2-[(3-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-[(3-bromophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-(3-bromobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C22H19BrO4 MolecularWeight: 427.28786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)Br)O3

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)Br)O3

InChI

InChI=1S/C22H19BrO4/c23-16-8-4-5-14(11-16)12-20-21(24)18-10-9-17(13-19(18)27-20)26-22(25)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2