4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-olate

Systemtic Name: 4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-olate Openeye Name: 4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-2-phenyl-benzofuran-5-olate CAS Name: 4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-2-phenyl-5-benzofuranolate IUPAC Name: 4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-olate Traditional Name: 3-carbethoxy-4-[(dimethylammonio)methyl]-2-phenyl-benzofuran-5-olate Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)[O-])C[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)[O-])C[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO4/c1-4-24-20(23)18-17-14(12-21(2)3)15(22)10-11-16(17)25-19(18)13-8-6-5-7-9-13/h5-11,22H,4,12H2,1-3H3