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

Systemtic Name: 5-[[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholino-benzoic acid CAS Name: 5-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[[5-bromo-2-(4-fluorobenzyl)oxy-benzyl]amino]-2-morpholino-benzoic acid Formula: C25H24BrFN2O4 MolecularWeight: 515.371463

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NCC3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NCC3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C25H24BrFN2O4/c26-19-3-8-24(33-16-17-1-4-20(27)5-2-17)18(13-19)15-28-21-6-7-23(22(14-21)25(30)31)29-9-11-32-12-10-29/h1-8,13-14,28H,9-12,15-16H2,(H,30,31)