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

Systemtic Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dipropylammonio)methyl]-2-[(4-methoxycarbonylphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dipropylammonio)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-carbomethoxybenzylidene)-7-[(dipropylammonio)methyl]-3-keto-coumaran-6-olate Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5/c1-4-12-25(13-5-2)15-19-20(26)11-10-18-22(27)21(30-23(18)19)14-16-6-8-17(9-7-16)24(28)29-3/h6-11,14,26H,4-5,12-13,15H2,1-3H3/b21-14-