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

Systemtic Name: 5-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methylamino]-2-morpholino-benzoic acid CAS Name: 5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(3-bromo-5-ethoxy-4-methoxy-benzyl)amino]-2-morpholino-benzoic acid Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O5/c1-3-29-19-11-14(10-17(22)20(19)27-2)13-23-15-4-5-18(16(12-15)21(25)26)24-6-8-28-9-7-24/h4-5,10-12,23H,3,6-9,13H2,1-2H3,(H,25,26)