5-[[(4-chlorophenyl)methyl-[(3-fluorophenyl)methyl]azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(4-chlorophenyl)methyl-[(3-fluorophenyl)methyl]azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[(4-chlorophenyl)methyl-[(3-fluorophenyl)methyl]ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[(4-chlorophenyl)methyl-[(3-fluorophenyl)methyl]ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[(4-chlorophenyl)methyl-[(3-fluorophenyl)methyl]azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[(4-chlorobenzyl)-(3-fluorobenzyl)ammonio]methyl]-2-furoate Formula: C20H17ClFNO3 MolecularWeight: 373.805283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C[NH+](CC2=CC=C(C=C2)Cl)CC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)F)C[NH+](CC2=CC=C(C=C2)Cl)CC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C20H17ClFNO3/c21-16-6-4-14(5-7-16)11-23(12-15-2-1-3-17(22)10-15)13-18-8-9-19(26-18)20(24)25/h1-10H,11-13H2,(H,24,25)