3-[[methyl(propan-2-yl)azaniumyl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-[[methyl(propan-2-yl)azaniumyl]methyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[[isopropyl(methyl)ammonio]methyl]benzofuran-2-carboxylate CAS Name: 3-[[methyl(propan-2-yl)ammonio]methyl]-2-benzofurancarboxylate IUPAC Name: 3-[[methyl(propan-2-yl)azaniumyl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[isopropyl(methyl)ammonio]methyl]coumarilate Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC1=C(OC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CC(C)[NH+](C)CC1=C(OC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C14H17NO3/c1-9(2)15(3)8-11-10-6-4-5-7-12(10)18-13(11)14(16)17/h4-7,9H,8H2,1-3H3,(H,16,17)