(2Z)-7-[(dipropylazaniumyl)methyl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dipropylammonio)methyl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dipropylammonio)methyl]-2-[(1-ethyl-5-methoxy-3-indolyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dipropylammonio)methyl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-keto-coumaran-6-olate Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CN(C4=C3C=C(C=C4)OC)CC)C2=O)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C\C3=CN(C4=C3C=C(C=C4)OC)CC)/C2=O)[O-]

InChI

InChI=1S/C27H32N2O4/c1-5-12-28(13-6-2)17-22-24(30)11-9-20-26(31)25(33-27(20)22)14-18-16-29(7-3)23-10-8-19(32-4)15-21(18)23/h8-11,14-16,30H,5-7,12-13,17H2,1-4H3/b25-14-