2-azaniumyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]propanoate

Systemtic Name: 2-azaniumyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]propanoate Openeye Name: 2-azaniumyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]propanoate CAS Name: 2-ammonio-2-[3-[(3-fluorophenyl)methoxy]phenyl]propanoate IUPAC Name: 2-azaniumyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]propanoate Traditional Name: 2-ammonio-2-[3-(3-fluorobenzyl)oxyphenyl]propionate Formula: C16H16FNO3 MolecularWeight: 289.301543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OCC2=CC(=CC=C2)F)(C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C1=CC(=CC=C1)OCC2=CC(=CC=C2)F)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C16H16FNO3/c1-16(18,15(19)20)12-5-3-7-14(9-12)21-10-11-4-2-6-13(17)8-11/h2-9H,10,18H2,1H3,(H,19,20)