3-[5-[[2-(2-methoxyphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[[2-(2-methoxyphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[[2-(2-methoxyphenyl)ethylammonio]methyl]-2-furyl]benzoate CAS Name: 3-[5-[[2-(2-methoxyphenyl)ethylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[[2-(2-methoxyphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[[2-(2-methoxyphenyl)ethylammonio]methyl]-2-furyl]benzoate Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC[NH2+]CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CC[NH2+]CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H21NO4/c1-25-19-8-3-2-5-15(19)11-12-22-14-18-9-10-20(26-18)16-6-4-7-17(13-16)21(23)24/h2-10,13,22H,11-12,14H2,1H3,(H,23,24)