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

Systemtic Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-[(2-ethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dipropylammonio)methyl]-2-[(2-ethoxyphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dipropylammonio)methyl]-2-[(2-ethoxyphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-[(2-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dipropylammonio)methyl]-2-(2-ethoxybenzylidene)-3-keto-coumaran-6-olate Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3OCC)C2=O)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CC=C3OCC)/C2=O)[O-]

InChI

InChI=1S/C24H29NO4/c1-4-13-25(14-5-2)16-19-20(26)12-11-18-23(27)22(29-24(18)19)15-17-9-7-8-10-21(17)28-6-3/h7-12,15,26H,4-6,13-14,16H2,1-3H3/b22-15-