5-[(diethylazaniumyl)methyl]-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 5-[(diethylazaniumyl)methyl]-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 5-[(diethylammonio)methyl]-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[(diethylammonio)methyl]-3-methyl-2-benzofurancarboxylate IUPAC Name: 5-[(diethylazaniumyl)methyl]-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[(diethylammonio)methyl]-3-methyl-coumarilate Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC2=C(C=C1)OC(=C2C)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=CC2=C(C=C1)OC(=C2C)C(=O)[O-]

InChI

InChI=1S/C15H19NO3/c1-4-16(5-2)9-11-6-7-13-12(8-11)10(3)14(19-13)15(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)