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

Systemtic Name: 4-chloranyl-3-[5-[[2-(2-methoxyphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 4-chloro-3-[5-[[2-(2-methoxyphenyl)ethylammonio]methyl]-2-furyl]benzoate CAS Name: 4-chloro-3-[5-[[2-(2-methoxyphenyl)ethylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 4-chloro-3-[5-[[2-(2-methoxyphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 4-chloro-3-[5-[[2-(2-methoxyphenyl)ethylammonio]methyl]-2-furyl]benzoate Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO4/c1-26-19-5-3-2-4-14(19)10-11-23-13-16-7-9-20(27-16)17-12-15(21(24)25)6-8-18(17)22/h2-9,12,23H,10-11,13H2,1H3,(H,24,25)