5-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-2-morpholino-benzoic acid CAS Name: 5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[[3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]amino]-2-morpholino-benzoic acid Formula: C26H26BrFN2O5 MolecularWeight: 545.397443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Br)OCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Br)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H26BrFN2O5/c1-33-24-13-18(12-22(27)25(24)35-16-17-2-4-19(28)5-3-17)15-29-20-6-7-23(21(14-20)26(31)32)30-8-10-34-11-9-30/h2-7,12-14,29H,8-11,15-16H2,1H3,(H,31,32)