5-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[[4-(2-fluorobenzyl)oxy-3-methoxy-benzyl]amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C26H27FN2O5 MolecularWeight: 466.501383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-])OCC4=CC=CC=C4F

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-])OCC4=CC=CC=C4F

InChI

InChI=1S/C26H27FN2O5/c1-32-25-14-18(6-9-24(25)34-17-19-4-2-3-5-22(19)27)16-28-20-7-8-23(21(15-20)26(30)31)29-10-12-33-13-11-29/h2-9,14-15,28H,10-13,16-17H2,1H3,(H,30,31)