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

Systemtic Name: 5-[(5-bromanyl-2-ethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(5-bromo-2-ethoxy-phenyl)methylamino]-2-morpholino-benzoic acid CAS Name: 5-[(5-bromo-2-ethoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(5-bromo-2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(5-bromo-2-ethoxy-benzyl)amino]-2-morpholino-benzoic acid Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O4/c1-2-27-19-6-3-15(21)11-14(19)13-22-16-4-5-18(17(12-16)20(24)25)23-7-9-26-10-8-23/h3-6,11-12,22H,2,7-10,13H2,1H3,(H,24,25)