6-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-[(3,4-dimethoxyphenyl)methylene]benzofuran-3-one CAS Name: 6-[2-(1-azepanyl)-2-oxoethoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-3-benzofuranone IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one Traditional Name: 6-[2-(azepan-1-yl)-2-keto-ethoxy]-2-veratrylidene-coumaran-3-one Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H27NO6/c1-29-20-10-7-17(13-22(20)30-2)14-23-25(28)19-9-8-18(15-21(19)32-23)31-16-24(27)26-11-5-3-4-6-12-26/h7-10,13-15H,3-6,11-12,16H2,1-2H3