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

Systemtic Name: 3-[5-[[2-(2,4-dichlorophenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[[2-(2,4-dichlorophenyl)ethylammonio]methyl]-2-furyl]benzoate CAS Name: 3-[5-[[2-(2,4-dichlorophenyl)ethylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[[2-(2,4-dichlorophenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[[2-(2,4-dichlorophenyl)ethylammonio]methyl]-2-furyl]benzoate Formula: C20H17Cl2NO3 MolecularWeight: 390.25988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H17Cl2NO3/c21-16-5-4-13(18(22)11-16)8-9-23-12-17-6-7-19(26-17)14-2-1-3-15(10-14)20(24)25/h1-7,10-11,23H,8-9,12H2,(H,24,25)