4-[[[3-[(4-fluorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[3-[(4-fluorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[3-[(4-fluorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[3-[(4-fluorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[3-[(4-fluorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[3-(4-fluorobenzyl)oxybenzyl]ammonio]methyl]benzoate Formula: C22H20FNO3 MolecularWeight: 365.397503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C22H20FNO3/c23-20-10-6-17(7-11-20)15-27-21-3-1-2-18(12-21)14-24-13-16-4-8-19(9-5-16)22(25)26/h1-12,24H,13-15H2,(H,25,26)