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

Systemtic Name: 5-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[[4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methylamino]-2-morpholino-benzoic acid CAS Name: 5-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[[4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzyl]amino]-2-morpholino-benzoic acid Formula: C22H26BrN3O6 MolecularWeight: 508.36234

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O6/c1-2-31-19-10-14(9-17(23)21(19)32-13-20(24)27)12-25-15-3-4-18(16(11-15)22(28)29)26-5-7-30-8-6-26/h3-4,9-11,25H,2,5-8,12-13H2,1H3,(H2,24,27)(H,28,29)