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

Systemtic Name: 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[(3-fluorophenyl)methyl-(p-tolylmethyl)ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[(3-fluorobenzyl)-(4-methylbenzyl)ammonio]methyl]-2-furoate Formula: C21H20FNO3 MolecularWeight: 353.386803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](CC2=CC(=CC=C2)F)CC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](CC2=CC(=CC=C2)F)CC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C21H20FNO3/c1-15-5-7-16(8-6-15)12-23(13-17-3-2-4-18(22)11-17)14-19-9-10-20(26-19)21(24)25/h2-11H,12-14H2,1H3,(H,24,25)