(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(dipropylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(dipropylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-7-[(dipropylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(dipropylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(dipropylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dipropylammonio)methyl]-3-keto-2-veratrylidene-coumaran-6-olate Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CC(=C(C=C3)OC)OC)C2=O)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C\C3=CC(=C(C=C3)OC)OC)/C2=O)[O-]

InChI

InChI=1S/C24H29NO5/c1-5-11-25(12-6-2)15-18-19(26)9-8-17-23(27)22(30-24(17)18)14-16-7-10-20(28-3)21(13-16)29-4/h7-10,13-14,26H,5-6,11-12,15H2,1-4H3/b22-14-