3-[(butylazaniumyl)methyl]-2-ethoxycarbonyl-1-benzofuran-4-olate

Systemtic Name: 3-[(butylazaniumyl)methyl]-2-ethoxycarbonyl-1-benzofuran-4-olate Openeye Name: 3-[(butylammonio)methyl]-2-ethoxycarbonyl-benzofuran-4-olate CAS Name: 3-[(butylammonio)methyl]-2-ethoxycarbonyl-4-benzofuranolate IUPAC Name: 3-[(butylazaniumyl)methyl]-2-ethoxycarbonyl-1-benzofuran-4-olate Traditional Name: 3-[(butylammonio)methyl]-2-carbethoxy-benzofuran-4-olate Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=C(OC2=CC=CC(=C21)[O-])C(=O)OCC

Isomeric SMILES

CCCC[NH2+]CC1=C(OC2=CC=CC(=C21)[O-])C(=O)OCC

InChI

InChI=1S/C16H21NO4/c1-3-5-9-17-10-11-14-12(18)7-6-8-13(14)21-15(11)16(19)20-4-2/h6-8,17-18H,3-5,9-10H2,1-2H3