3-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methylazaniumyl]propanoate

Systemtic Name: 3-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methylazaniumyl]propanoate Openeye Name: 3-[(3-benzyloxyphenyl)methylammonio]-3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methylammonio]propanoate IUPAC Name: 3-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methylazaniumyl]propanoate Traditional Name: 3-[(3-benzoxybenzyl)ammonio]-3-(4-fluorophenyl)propionate Formula: C23H22FNO3 MolecularWeight: 379.424083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C[NH2+]C(CC(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C[NH2+]C(CC(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C23H22FNO3/c24-20-11-9-19(10-12-20)22(14-23(26)27)25-15-18-7-4-8-21(13-18)28-16-17-5-2-1-3-6-17/h1-13,22,25H,14-16H2,(H,26,27)