4-[5-[[2-(3,4-dimethoxyphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate

Systemtic Name: 4-[5-[[2-(3,4-dimethoxyphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 4-[5-[[2-(3,4-dimethoxyphenyl)ethylammonio]methyl]-2-furyl]benzoate CAS Name: 4-[5-[[2-(3,4-dimethoxyphenyl)ethylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[[2-(3,4-dimethoxyphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(homoveratrylammonio)methyl]-2-furyl]benzoate Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-])OC

InChI

InChI=1S/C22H23NO5/c1-26-20-9-3-15(13-21(20)27-2)11-12-23-14-18-8-10-19(28-18)16-4-6-17(7-5-16)22(24)25/h3-10,13,23H,11-12,14H2,1-2H3,(H,24,25)