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

Systemtic Name: 3-[5-[(phenethylazaniumyl)methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(phenethylammonio)methyl]-2-furyl]benzoate CAS Name: 3-[5-[(phenethylammonio)methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(phenethylazaniumyl)methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(phenethylammonio)methyl]-2-furyl]benzoate Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH2+]CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC[NH2+]CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H19NO3/c22-20(23)17-8-4-7-16(13-17)19-10-9-18(24-19)14-21-12-11-15-5-2-1-3-6-15/h1-10,13,21H,11-12,14H2,(H,22,23)