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

Systemtic Name: 5-[[3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholino-benzoic acid CAS Name: 5-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[[3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]amino]-2-morpholino-benzoic acid Formula: C27H28BrFN2O5 MolecularWeight: 559.424023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Br)OCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Br)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H28BrFN2O5/c1-2-35-25-14-19(13-23(28)26(25)36-17-18-3-5-20(29)6-4-18)16-30-21-7-8-24(22(15-21)27(32)33)31-9-11-34-12-10-31/h3-8,13-15,30H,2,9-12,16-17H2,1H3,(H,32,33)