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

Systemtic Name: 4-chloranyl-3-[5-[[2-(3,4-dimethoxyphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 4-chloro-3-[5-[[2-(3,4-dimethoxyphenyl)ethylammonio]methyl]-2-furyl]benzoate CAS Name: 4-chloro-3-[5-[[2-(3,4-dimethoxyphenyl)ethylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 4-chloro-3-[5-[[2-(3,4-dimethoxyphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 4-chloro-3-[5-[(homoveratrylammonio)methyl]-2-furyl]benzoate Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO5/c1-27-20-7-3-14(11-21(20)28-2)9-10-24-13-16-5-8-19(29-16)17-12-15(22(25)26)4-6-18(17)23/h3-8,11-12,24H,9-10,13H2,1-2H3,(H,25,26)