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

Systemtic Name: 5-[(3-bromanyl-4,5-diethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(3-bromo-4,5-diethoxy-phenyl)methylamino]-2-morpholino-benzoic acid CAS Name: 5-[(3-bromo-4,5-diethoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(3-bromo-4,5-diethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(3-bromo-4,5-diethoxy-benzyl)amino]-2-morpholino-benzoic acid Formula: C22H27BrN2O5 MolecularWeight: 479.36418

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O5/c1-3-29-20-12-15(11-18(23)21(20)30-4-2)14-24-16-5-6-19(17(13-16)22(26)27)25-7-9-28-10-8-25/h5-6,11-13,24H,3-4,7-10,14H2,1-2H3,(H,26,27)