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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=C(C=C2)F)CNC3=CC(=C(C=C3)[NH+]4CCOCC4)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=C(C=C2)F)CNC3=CC(=C(C=C3)[NH+]4CCOCC4)C(=O)[O-]

InChI

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